dodecyl-thiophosphate

Ligand id: 6990

Name: dodecyl-thiophosphate

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 12
Topological polar surface area 91.59
Molecular weight 282.14
XLogP 6.13
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

References
1. Durgam GG, Virag T, Walker MD, Tsukahara R, Yasuda S, Liliom K, van Meeteren LA, Moolenaar WH, Wilke N, Siess W et al.. (2005)
Synthesis, structure-activity relationships, and biological evaluation of fatty alcohol phosphates as lysophosphatidic acid receptor ligands, activators of PPARgamma, and inhibitors of autotaxin.
J. Med. Chem.48 (15): 4919-30. [PMID:16033271]