NE10575

Ligand id: 3184

Name: NE10575

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 5
Rotatable bonds 4
Topological polar surface area 158.79
Molecular weight 298.02
XLogP -2.87
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3-(2-hydroxy-2,2-diphosphonoethyl)-1-methylpyridin-1-ium
Synonyms
NE 10575 | NE-10575
Database Links
CAS Registry No. 154618-13-0 (source: Scifinder)
ChEMBL Ligand CHEMBL99553
PubChem CID 9847474
RCSB PDB Ligand UNR
Search Google for chemical match using the InChIKey BBNRLGQPSIXFHZ-UHFFFAOYSA-O
Search Google for chemicals with the same backbone BBNRLGQPSIXFHZ
Search UniChem for chemical match using the InChIKey BBNRLGQPSIXFHZ-UHFFFAOYSA-O
Search UniChem for chemicals with the same backbone BBNRLGQPSIXFHZ