NE11808

Ligand id: 3160

Name: NE11808

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 5
Rotatable bonds 5
Topological polar surface area 159.6
Molecular weight 282.02
XLogP 0.3
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
{1-phosphono-2-[(pyridin-2-yl)amino]ethyl}phosphonic acid
Synonyms
NE 11808
Database Links
CAS Registry No. 105462-22-4 (source: Scifinder)
ChEMBL Ligand CHEMBL294192
PubChem CID 406401
RCSB PDB Ligand 1BY
Search Google for chemical match using the InChIKey BHVCADPDEFLLGM-UHFFFAOYSA-N
Search Google for chemicals with the same backbone BHVCADPDEFLLGM
Search UniChem for chemical match using the InChIKey BHVCADPDEFLLGM-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone BHVCADPDEFLLGM