valproic acid

Ligand id: 7009

Name: valproic acid

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 37.3
Molecular weight 144.12
XLogP 2.74
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Phiel CJ, Zhang F, Huang EY, Guenther MG, Lazar MA, Klein PS. (2001)
Histone deacetylase is a direct target of valproic acid, a potent anticonvulsant, mood stabilizer, and teratogen.
J. Biol. Chem.276 (39): 36734-41. [PMID:11473107]