compound 8a [PMID: 22861813]

Ligand id: 7891

Name: compound 8a [PMID: 22861813]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 7
Topological polar surface area 98.74
Molecular weight 383.13
XLogP 4.65
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Ruf S, Buning C, Schreuder H, Horstick G, Linz W, Olpp T, Pernerstorfer J, Hiss K, Kroll K, Kannt A et al.. (2012)
Novel β-amino acid derivatives as inhibitors of cathepsin A.
J. Med. Chem., 55 (17): 7636-49. [PMID:22861813]