compound (R)-26 [PMID: 22686657]

Ligand id: 6535

Name: compound (R)-26 [PMID: 22686657]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 10
Topological polar surface area 118.96
Molecular weight 380.15
XLogP 2.03
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Frizler M, Schmitz J, Schulz-Fincke AC, G├╝tschow M. (2012)
Selective nitrile inhibitors to modulate the proteolytic synergism of cathepsins S and F.
J. Med. Chem., 55 (12): 5982-6. [PMID:22686657]