compound 20 [PMID: 12372533]

Ligand id: 8555

Name: compound 20 [PMID: 12372533]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 17
Hydrogen bond donors 7
Rotatable bonds 25
Topological polar surface area 255.79
Molecular weight 870.47
XLogP 3.76
No. Lipinski's rules broken 3

Molecular properties generated using the CDK

1. Priestley ES, De Lucca I, Ghavimi B, Erickson-Viitanen S, Decicco CP. (2002)
P1 Phenethyl peptide boronic acid inhibitors of HCV NS3 protease.
Bioorg. Med. Chem. Lett., 12 (21): 3199-202. [PMID:12372533]