compound 9 [PMID: 23472952]

Ligand id: 9017

Name: compound 9 [PMID: 23472952]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 4
Rotatable bonds 9
Topological polar surface area 107.02
Molecular weight 286.21
XLogP -2.09
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Van Zandt MC, Whitehouse DL, Golebiowski A, Ji MK, Zhang M, Beckett RP, Jagdmann GE, Ryder TR, Sheeler R, Andreoli M et al.. (2013)
Discovery of (R)-2-amino-6-borono-2-(2-(piperidin-1-yl)ethyl)hexanoic acid and congeners as highly potent inhibitors of human arginases I and II for treatment of myocardial reperfusion injury.
J. Med. Chem., 56 (6): 2568-80. [PMID:23472952]