compound (R)-4d [PMID: 16766089]

Ligand id: 5489

Name: compound (R)-4d [PMID: 16766089]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 12
Topological polar surface area 77.46
Molecular weight 505.25
XLogP 5.48
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

1. Fülep GH, Hoesl CE, Höfner G, Wanner KT. (2006)
New highly potent GABA uptake inhibitors selective for GAT-1 and GAT-3 derived from (R)- and (S)-proline and homologous pyrrolidine-2-alkanoic acids.
Eur J Med Chem, 41 (7): 809-24. [PMID:16766089]