compound 6a [Patil et al., 1989]

Ligand id: 2963

Name: compound 6a [Patil et al., 1989]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 10
Topological polar surface area 37.3
Molecular weight 274.19
XLogP 6.91
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(5E)-octadec-5-en-7,9-diynoic acid
Database Links
ChEMBL Ligand CHEMBL489540
GtoPdb PubChem SID 135649831
PubChem CID 9543636
Search Google for chemical match using the InChIKey IGVKWAAPMVVTFX-BUHFOSPRSA-N
Search Google for chemicals with the same backbone IGVKWAAPMVVTFX
Search UniChem for chemical match using the InChIKey IGVKWAAPMVVTFX-BUHFOSPRSA-N
Search UniChem for chemicals with the same backbone IGVKWAAPMVVTFX
Comments
This ligand is compound 6a in reference [1] which can be accessed here.