Ligand id: 6487


Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 9
Topological polar surface area 66.4
Molecular weight 399.08
XLogP 5.87
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Hudson BD, Tikhonova IG, Pandey SK, Ulven T, Milligan G. (2012)
Extracellular ionic locks determine variation in constitutive activity and ligand potency between species orthologs of the free fatty acid receptors FFA2 and FFA3.
J. Biol. Chem.287 (49): 41195-209. [PMID:23066016]