AK198

Ligand id: 8637

Name: AK198

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 7
Topological polar surface area 101.65
Molecular weight 352.06
XLogP 2.06
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Fanfrlík J, Ruiz FX, Kadlčíková A, Řezáč J, Cousido-Siah A, Mitschler A, Haldar S, Lepšík M, Kolář MH, Majer P et al.. (2015)
The Effect of Halogen-to-Hydrogen Bond Substitution on Human Aldose Reductase Inhibition.
ACS Chem. Biol.10 (7): 1637-42. [PMID:25919404]