2(S)-amino-6-boronohexanoic acid

Ligand id: 5107

Name: 2(S)-amino-6-boronohexanoic acid

Abbreviated name: ABH

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 4
Rotatable bonds 6
Topological polar surface area 103.78
Molecular weight 175.1
XLogP -2.85
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Baggio R, Elbaum D, Kanto ZF, Carroll PJ, Cavalli RC, Ash DE, Christianson DW. (1997)
Inhibition of Mn2+2-Arginase by Borate Leads to the Design of a Transition State Analogue Inhibitor, 2(S)-Amino-6-boronohexanoic Acid.
J. Am. Chem. Soc., 119 (34): 8107–8108.
2. Colleluori DM, Ash DE. (2001)
Classical and slow-binding inhibitors of human type II arginase.
Biochemistry, 40 (31): 9356-62. [PMID:11478904]