GW2331

Ligand id: 2680

Name: GW2331

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 16
Topological polar surface area 78.87
Molecular weight 490.26
XLogP 7.36
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(2S)-2-[4-[2-[(2,4-difluorophenyl)carbamoyl-heptylamino]ethyl]phenoxy]-2-methylbutanoic acid
Synonyms
GW 2331 | GW-2331
Database Links
BindingDB Ligand 50205090
ChEMBL Ligand CHEMBL248906
PubChem CID 657048
RCSB PDB Ligand 331
Search Google for chemical match using the InChIKey VGSJXSLGVQINOL-MHZLTWQESA-N
Search Google for chemicals with the same backbone VGSJXSLGVQINOL
Search UniChem for chemical match using the InChIKey VGSJXSLGVQINOL-MHZLTWQESA-N
Search UniChem for chemicals with the same backbone VGSJXSLGVQINOL