compound 34 [PMID: 20866075]

Ligand id: 8751

Name: compound 34 [PMID: 20866075]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 7
Topological polar surface area 99.75
Molecular weight 430.1
XLogP 7.53
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Rai G, Kenyon V, Jadhav A, Schultz L, Armstrong M, Jameson JB, Hoobler E, Leister W, Simeonov A, Holman TR et al.. (2010)
Discovery of potent and selective inhibitors of human reticulocyte 15-lipoxygenase-1.
J. Med. Chem., 53 (20): 7392-404. [PMID:20866075]