propargylglycine

Ligand id: 5247

Name: propargylglycine

Structure and Physico-chemical Properties

2D Structure
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

References
1. Asimakopoulou A, Panopoulos P, Chasapis CT, Coletta C, Zhou Z, Cirino G, Giannis A, Szabo C, Spyroulias GA, Papapetropoulos A. (2013)
Selectivity of commonly used pharmacological inhibitors for cystathionine β synthase (CBS) and cystathionine γ lyase (CSE).
Br. J. Pharmacol., 169 (4): 922-32. [PMID:23488457]