Ligand id: 2948

Name: etalocib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 13
Topological polar surface area 85.22
Molecular weight 544.23
XLogP 9.08
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

1. Jackson WT, Froelich LL, Boyd RJ, Schrementi JP, Saussy Jr DL, Schultz RM, Sawyer JS, Sofia MJ, Herron DK, Goodson Jr T et al.. (1999)
Pharmacologic actions of the second-generation leukotriene B4 receptor antagonist LY293111: in vitro studies.
J. Pharmacol. Exp. Ther., 288 (1): 286-94. [PMID:9862783]