octyl thiophosphatidic acid

Ligand id: 6995

Name: octyl thiophosphatidic acid

Structure and Physico-chemical Properties

2D Structure
Click here for structure editor
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 20
Topological polar surface area 110.05
Molecular weight 412.24
XLogP 7.13
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

References
1. Williams JR, Khandoga AL, Goyal P, Fells JI, Perygin DH, Siess W, Parrill AL, Tigyi G, Fujiwara Y. (2009)
Unique ligand selectivity of the GPR92/LPA5 lysophosphatidate receptor indicates role in human platelet activation.
J. Biol. Chem., 284 (25): 17304-19. [PMID:19366702]