compound 4 [PMID: 27074625]

Ligand id: 9148

Name: compound 4 [PMID: 27074625]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 16
Topological polar surface area 125.21
Molecular weight 629.24
XLogP 5.21
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

1. Christiansen E, Hudson BD, Hansen AH, Milligan G, Ulven T. (2016)
Development and characterization of a potent free fatty acid receptor 1 (FFA1) fluorescent tracer.
J. Med. Chem.,  [Epub ahead of print]. [PMID:27074625]