3-APPA

Ligand id: 1081

Name: 3-APPA

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 63.32
Molecular weight 122.04
XLogP -1.27
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3-aminopropyl-hydroxy-oxophosphanium
Synonyms
3-aminopropanephosphinic acid
APPA
CGP-27492
Database Links
BindingDB Ligand 24184
CAS Registry No. 103680-47-3 (source: Scifinder)
PubChem CID 6335948
Search Google for chemical match using the InChIKey MQIWYGZSHIXQIU-UHFFFAOYSA-O
Search Google for chemicals with the same backbone MQIWYGZSHIXQIU
Comments
ChEMBL represents this compound without the charge with the entry CHEMBL112203.