NE58043

Ligand id: 3179

Name: NE58043

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 4
Rotatable bonds 4
Topological polar surface area 147.57
Molecular weight 267.01
XLogP -2.09
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
[1-phosphono-2-(pyridin-3-yl)ethyl]phosphonic acid
Synonyms
NE 58043
Database Links
CAS Registry No. 105462-25-7 (source: Scifinder)
ChEMBL Ligand CHEMBL98110
PubChem CID 10468166
Search Google for chemical match using the InChIKey KZMOFWIRXNQJET-UHFFFAOYSA-N
Search Google for chemicals with the same backbone KZMOFWIRXNQJET
Search UniChem for chemical match using the InChIKey KZMOFWIRXNQJET-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone KZMOFWIRXNQJET