compound 5a [PMID: 20690647]

Ligand id: 8615

Name: compound 5a [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 183.22
Molecular weight 614.3
XLogP 6.26
No. Lipinski's rules broken 3

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]