NE58027

Ligand id: 3154

Name: NE58027

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 6
Rotatable bonds 4
Topological polar surface area 166.94
Molecular weight 289.05
XLogP -2.94
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
[1-hydroxy-1-phosphono-2-(piperidin-2-yl)ethyl]phosphonic acid
Synonyms
NE 58027
Database Links
CAS Registry No. 116162-16-4 (source: Scifinder)
ChEMBL Ligand CHEMBL259729
PubChem CID 14231197
Search Google for chemical match using the InChIKey GKUBJNUBGKBXKR-UHFFFAOYSA-N
Search Google for chemicals with the same backbone GKUBJNUBGKBXKR
Search UniChem for chemical match using the InChIKey GKUBJNUBGKBXKR-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone GKUBJNUBGKBXKR