thiothixene

Ligand id: 212

Name: thiothixene

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 5
Topological polar surface area 77.54
Molecular weight 443.17
XLogP 3.22
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Kroeze WK, Hufeisen SJ, Popadak BA, Renock SM, Steinberg S, Ernsberger P, Jayathilake K, Meltzer HY, Roth BL. (2003)
H1-histamine receptor affinity predicts short-term weight gain for typical and atypical antipsychotic drugs.
Neuropsychopharmacology28: 519-526. [PMID:12629531]