valproic acid

Ligand id: 7009

Name: valproic acid

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Structure and Physico-chemical Properties

2D Structure
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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

Selectivity at enzymes
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
histone deacetylase 1 Hs Inhibitor Inhibition 3.4 pIC50 - 1
pIC50 3.4 (IC50 4x10-4 M) [1]
Ligand mentioned in the following text fields