compound 5b [PMID: 17358052]

Ligand id: 1598

Name: compound 5b [PMID: 17358052]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 63.6
Molecular weight 232.07
XLogP 3.03
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Jung JK, Johnson BR, Duong T, Decaire M, Uy J, Gharbaoui T, Boatman PD, Sage CR, Chen R, Richman JG, Connolly DT, Semple G. (2007)
Analogues of acifran: agonists of the high and low affinity niacin receptors, GPR109a and GPR109b.
J Med Chem, 50: 1445-1448. [PMID:17358052]