Ligand id: 8694

Name: valbenazine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 74.02
Molecular weight 418.28
XLogP 3.92
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Gano KW. (2013)
Substituted 3-isobutyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-A]isoquinolin-2-ol compounds and methods relating thereto.
Patent number: US8357697 B2. Assignee: Neurocrine Biosciences, Inc.. Priority date: 08/11/2006. Publication date: 22/01/2013.