Search By:  Name/ Text Identity/ Similarity Substructure/ Superstructure Molecular Formula Saved Search
Search By:  Name/ Text Identity/ Similarity Substructure/ Superstructure Molecular Formula Saved Search
Search By:  Name/ Text Identity/ Similarity Substructure/ Superstructure Molecular Formula Saved Search
Search By:  Name/ Text Identity/ Similarity Substructure/ Superstructure Molecular Formula Saved Search
Search By:  Name/ Text Identity/ Similarity Substructure/ Superstructure Molecular Formula Saved Search
		Synonyms/Descriptors/MeSH term etc:     Search Draw a Structure CID, SMILES, InChI Structure File Launch the PubChem editor to make a structure Edit Search Draw a Structure CID, SMILES, InChI Structure File Enter single structure identifier Edit Search Draw a Structure CID, SMILES, InChI Structure File Enter single file name Search Draw a Structure CID, SMILES/SMARTS, InChI Structure File Launch the PubChem editor to make a structure Edit Search Draw a Structure CID, SMILES/SMARTS, InChI Structure File Enter single structure identifier Edit Search Draw a Structure CID, SMILES/SMARTS, InChI Structure File Enter single file name Search Molecular Formula Molecular Formula File Enter single molecular formula Search Molecular Formula Molecular Formula File Enter single molecular formula file name Search Saved structure search file:  Search Options Identical Structures Similar Compounds, score >= 95% Similar Compounds, score >= 90% Similar Compounds, score >= 80% Identical Structures Similar Structures with  any tautomer same connectivity same stereoisomer same isotopical labels same stereochemistry and isotopes non-conflicting stereochemistry same isotopes and non-conflicting stereoisomers   threshold >=  99% 98% 97% 96% 95% 93% 90% 85% 80% 70% 60%   Substructure Superstructure Substructure Superstructure match stereochemistry  Ignore Exact Relative Nonconflicting  and  Match isotopes Match charges Match tautomers Ringsystems not embedded Single/double bonds match aromatic bonds Chain bonds match ring bonds Strip hydrogen   Molecular Formula with  exact stoichiometry allow other element   Time Limit(seconds):  unlimited 30 60 90 300 600 3,600      Result Limit: 10 50 100 500 1,000 10,000 100,000 2,000,000   Filters Compound Subset (Clear) PubChem Compound Search History:  No history  (Retrieve) CID List: (Seperators: Space, ",", ";"):   CID List File:   BioActivity (Clear) In any bioassay:   Any   Tested   Active   Inactive   Not Tested Property (Clear) MW   from to XLogP   from to HBD   from to HBA   from to Rotatable Bond   from to TPSA   from to Heavy Atom   from to Isotope   from to Tautomer   from to Covalent Unit   from to Complexity   from to Charge   from to Stereochemistry (Clear) Chiral center(s) that are  Please Select fully specified partially specified fully unspecified not fully specified not partially specified >not fully unspecified ;   E/Z isomer(s) that are  Please Select fully specified partially specified fully unspecified not fully specified not partially specified not fully unspecified Links (Clear) Require Disallow Allow PubMed  Protein  MeSH  PubMed via MeSH  Nucleotide  Protein 3D Structure  Pharmacologic Action  Chemical Elements (Clear) H He Li Be B C N O F Ne Na Mg Al Si P S Cl Ar K Ca Sc Ti V Cr Mn Fe Co Ni Cu Zn Ga Ge As Se Br Kr Rb Sr Y Zr Nb Mo Tc Ru Rh Pd Ag Cd In Sn Sb Te I Xe Cs Ba La Hf Ta W Re Os Ir Pt Au Hg Tl Pb Bi Po At Rn Fr Ra Ac Rf Db Sg Bh Hs Mt Ds Rg   Ce Pr Nd Pm Sm Eu Gd Tb Dy Ho Er Tm Yb Lu Th Pa U Np Pu Am Cm Bk Cf Es Fm Md No Lr Depositor's Category (Clear) Require Disallow Allow Biological Properties  Chemical Reactions  Imaging Agent  Journal Publishers via MeSH  Metabolic Pathways  Molecular Libraries Screening Center Network  NIH Substance Repository  Physical Properties  Protein 3D Structures  Substance Vendors  Theoretical Properties  Toxicology  Data Source (Clear) From  Ambinter Aronis ASINEX BIND BindingDB BioCyc Calbiochem CambridgeSoft Corporation CC_PMLSC ChEBI ChemBank ChemBlock ChemBridge ChemDB ChemExper Chemical Directory ChemIDplus ChemSpider CMLD-BU Columbia University Molecular Screening Center Diabetic Complications Screening DiscoveryGate DrugBank DTP/NCI Emory University Molecular Libraries Screening Center EPA DSSTox Exchemistry InFarmatik KEGG KUMGM LeadScope LipidMAPS MICAD MLSMR MMDB MOLI MTDP Nature Chemical Biology NCGC NIAID NIH Clinical Collection NINDS Approved Drug Screening Program NIST NIST Chemistry WebBook NMMLSC NMRShiftDB ORST SMALL MOLECULE SCREENING CENTER PANACHE PCMD PDSP ProbeDB Prous Science Drugs of the Future R&D Chemicals San Diego Center for Chemical Genomics SGCOxCompounds SGCStoCompounds Shanghai Institute of Organic Chemistry Sigma-Aldrich SMID Southern Research Institute - HTS Specs SRMLSC Structural Genomics Consortium The Scripps Research Institute Molecular Screening Center Thomson Pharma Total TOSLab Building-Blocks UM-BBD University of Pittsburgh Molecular Library Screening Center UPCMLD Web of Science xPharm ZINC Not from  Ambinter Aronis ASINEX BIND BindingDB BioCyc Calbiochem CambridgeSoft Corporation CC_PMLSC ChEBI ChemBank ChemBlock ChemBridge ChemDB ChemExper Chemical Directory ChemIDplus ChemSpider CMLD-BU Columbia University Molecular Screening Center Diabetic Complications Screening DiscoveryGate DrugBank DTP/NCI Emory University Molecular Libraries Screening Center EPA DSSTox Exchemistry InFarmatik KEGG KUMGM LeadScope LipidMAPS MICAD MLSMR MMDB MOLI MTDP Nature Chemical Biology NCGC NIAID NIH Clinical Collection NINDS Approved Drug Screening Program NIST NIST Chemistry WebBook NMMLSC NMRShiftDB ORST SMALL MOLECULE SCREENING CENTER PANACHE PCMD PDSP ProbeDB Prous Science Drugs of the Future R&D Chemicals San Diego Center for Chemical Genomics SGCOxCompounds SGCStoCompounds Shanghai Institute of Organic Chemistry Sigma-Aldrich SMID Southern Research Institute - HTS Specs SRMLSC Structural Genomics Consortium The Scripps Research Institute Molecular Screening Center Thomson Pharma Total TOSLab Building-Blocks UM-BBD University of Pittsburgh Molecular Library Screening Center UPCMLD Web of Science xPharm ZINC Clear Save Query Edit Query