Ligand id: 6991

Name: [1-bromo-(3S)-hydrox-4-(palmitoyloxy)butyl]phosphate

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 21
Topological polar surface area 102.87
Molecular weight 508.16
XLogP 7.22
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

1. Kano K, Arima N, Ohgami M, Aoki J. (2008)
LPA and its analogs-attractive tools for elucidation of LPA biology and drug development.
Curr. Med. Chem., 15 (21): 2122-31. [PMID:18781939]