A-123189

Ligand id: 491

Name: A-123189

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 93.36
Molecular weight 476.19
XLogP 5.06
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

References
1. Carroll WA, Sippy KB, Esbenshade TA, Buckner SA, Hancock AA, Meyer MD. (2001)
Two novel and potent 3-[(o-methoxyphenyl)piperazinylethyl]-5-phenylthien.
Bioorganic & Medicinal Chemistry Letters11: 1119-1121. [PMID:11354357]