compound 35 [PMID: 19191557]

Ligand id: 3122

Name: compound 35 [PMID: 19191557]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 8
Topological polar surface area 147.81
Molecular weight 419.02
XLogP 2.24
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-[2-fluoro-5-(4-fluorophenoxy)phenyl]-1-phosphonatobutane-1-sulfonate
Database Links
ChEMBL Ligand CHEMBL1208063
GtoPdb PubChem SID 135649785
PubChem CID 56947048
Search Google for chemical match using the InChIKey GNVJUODFQNFGPT-UHFFFAOYSA-K
Search Google for chemicals with the same backbone GNVJUODFQNFGPT
Search UniChem for chemical match using the InChIKey GNVJUODFQNFGPT-UHFFFAOYSA-K
Search UniChem for chemicals with the same backbone GNVJUODFQNFGPT
Comments
ChEMBL represents this compound without the charges.