NE58018

Ligand id: 3168

Name: NE58018

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 5
Rotatable bonds 4
Topological polar surface area 167.8
Molecular weight 283
XLogP -2.62
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
[1-hydroxy-1-phosphono-2-(pyridin-2-yl)ethyl]phosphonic acid
Synonyms
NE 58018 | NE-58018
Database Links
CAS Registry No. 105462-23-5 (source: Scifinder)
ChEMBL Ligand CHEMBL434024
PubChem CID 405372
Search Google for chemical match using the InChIKey XXNASZAYANFLID-UHFFFAOYSA-N
Search Google for chemicals with the same backbone XXNASZAYANFLID
Search UniChem for chemical match using the InChIKey XXNASZAYANFLID-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone XXNASZAYANFLID