apigenin   Click here for help

GtoPdb Ligand ID: 4136

PDB Ligand
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 1
Hydrogen bond donors 3
Rotatable bonds 1
Topological polar surface area 90.9
Molecular weight 270.05
XLogP 3.67
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Oc1ccc(cc1)c1cc(=O)c2c(o1)cc(cc2O)O
Isomeric SMILES Oc1ccc(cc1)c1cc(=O)c2c(o1)cc(cc2O)O
InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H
InChI Key KZNIFHPLKGYRTM-UHFFFAOYSA-N
References
1. Verkman AS, Galietta LJ. (2009)
Chloride channels as drug targets.
Nat Rev Drug Discov, 8 (2): 153-71. [PMID:19153558]