A1120

Ligand id: 8792

Name: A1120

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 69.64
Molecular weight 392.13
XLogP 6.46
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

References
1. Wang Y, Connors R, Fan P, Wang X, Wang Z, Liu J, Kayser F, Medina JC, Johnstone S, Xu H et al.. (2014)
Structure-assisted discovery of the first non-retinoid ligands for Retinol-Binding Protein 4.
Bioorg. Med. Chem. Lett.24 (13): 2885-91. [PMID:24835984]