Ligand id: 1408

Name: ACPT-I

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 4
Rotatable bonds 3
Topological polar surface area 137.92
Molecular weight 217.06
XLogP -4.23
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Compound class Synthetic organic
1-aminocyclopentane-1,3,4-tricarboxylic acid
Database Links
BindingDB Ligand 50060135
CAS Registry No. 194918-76-8 (source: Scifinder)
ChEMBL Ligand CHEMBL285043
PubChem CID 6604820
Search Google for chemical match using the InChIKey FERIKTBTNCSGJS-KIGHRTHISA-N
Search Google for chemicals with the same backbone FERIKTBTNCSGJS
There is no exact chiral match to this compound in PubChem. Alternative representations include CID 6604820 and CID 4302961.