compound 33 [PMID: 19908842]

Ligand id: 8874

Name: compound 33 [PMID: 19908842]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 79.42
Molecular weight 336.07
XLogP 2.57
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Mott BT, Ferreira RS, Simeonov A, Jadhav A, Ang KK, Leister W, Shen M, Silveira JT, Doyle PS, Arkin MR et al.. (2010)
Identification and optimization of inhibitors of Trypanosomal cysteine proteases: cruzain, rhodesain, and TbCatB.
J. Med. Chem., 53 (1): 52-60. [PMID:19908842]