compound 4b [PMID: 20690647]

Ligand id: 8614

Name: compound 4b [PMID: 20690647]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 13
Hydrogen bond donors 4
Rotatable bonds 19
Topological polar surface area 192.45
Molecular weight 582.29
XLogP 3.41
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

1. Ovat A, Li ZZ, Hampton CY, Asress SA, Fern├índez FM, Glass JD, Powers JC. (2010)
Peptidyl alpha-ketoamides with nucleobases, methylpiperazine, and dimethylaminoalkyl substituents as calpain inhibitors.
J. Med. Chem., 53 (17): 6326-36. [PMID:20690647]