compound 82 [PMID: 21332118]

Ligand id: 8805

Name: compound 82 [PMID: 21332118]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 137.67
Molecular weight 476.02
XLogP 3.7
No. Lipinski's rules broken 0

Molecular properties generated using the CDK