Ligand id: 3938

Name: [3H]A81988    

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 107.89
Molecular weight 414.18
XLogP 6.76
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Compound class Synthetic organic
2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid
Database Links
ChEMBL Ligand CHEMBL416477
PubChem CID 132387
Search Google for chemical match using the InChIKey DLMNZGAILMQDHA-UHFFFAOYSA-N
Search Google for chemicals with the same backbone DLMNZGAILMQDHA