β-Cyano-L-alanine

Ligand id: 8859

Name: β-Cyano-L-alanine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 87.11
Molecular weight 114.04
XLogP -3.6
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]