Ligand id: 1436

Name: 1-benzyl-APDC

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 4
Topological polar surface area 103.86
Molecular weight 264.11
XLogP -1.17
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Tuckmantel W, Kozikowski AP, Wang S, Pshenichkin S, Wroblewski JT. (1997)
Synthesis, molecular modeling, and biology of the 1-benzyl derivative of APDC-an apparent mGluR6 selective ligand.
Bioorg Med Chem Lett., 7: 601-606.