compound 4 [PMID: 8576905]

Ligand id: 3129

Name: compound 4 [PMID: 8576905]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 12
Topological polar surface area 138.58
Molecular weight 405.15
XLogP 3.44
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(5E,9E)-6,10,14-trimethyl-1-phosphonatopentadeca-5,9,13-triene-1-sulfonate
Database Links
ChEMBL Ligand CHEMBL1205865
PubChem CID 56947060
Search Google for chemical match using the InChIKey GAGCDEGBGYUQJJ-QKXOVSGLSA-K
Search Google for chemicals with the same backbone GAGCDEGBGYUQJJ
Search UniChem for chemical match using the InChIKey GAGCDEGBGYUQJJ-QKXOVSGLSA-K
Search UniChem for chemicals with the same backbone GAGCDEGBGYUQJJ
Comments
ChEMBL represents this compound without the charges.