propargylglycine

Ligand id: 5247

Name: propargylglycine

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 49.33
Molecular weight 113.05
XLogP -0.53
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
Cystathionine γ-lyase Hs Inhibitor Inhibition 4.4 pIC50 - 1
pIC50 4.4 (IC50 4x10-5 M) [1]