aminooxyacetic acid

Ligand id: 5136

Name: aminooxyacetic acid

Abbreviated name: AOA

Structure and Physico-chemical Properties

2D Structure
Click here for structure editor
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 72.55
Molecular weight 91.03
XLogP -1.63
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Selectivity at enzymes
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
Cystathionine γ-lyase Hs Inhibitor Inhibition 6.0 pIC50 - 1
pIC50 6.0 (IC50 1.09x10-6 M) [1]
Cystathionine β-synthase Hs Inhibitor Inhibition 5.1 pIC50 - 1
pIC50 5.1 (IC50 8.52x10-6 M) [1]