L-βγ-meATP

Ligand id: 4236

Name: L-βγ-meATP

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 17
Hydrogen bond donors 7
Rotatable bonds 8
Topological polar surface area 299.33
Molecular weight 505.02
XLogP -5.65
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}methyl)phosphonic acid
Synonyms
βγ-methylene-adenosine 5'-triphosphate
Database Links
ChEBI CHEBI:40532
ChEMBL Ligand CHEMBL133463
PubChem CID 91532
RCSB PDB Ligand ABG, ACP
Search Google for chemical match using the InChIKey UFZTZBNSLXELAL-IOSLPCCCSA-N
Search Google for chemicals with the same backbone UFZTZBNSLXELAL
Search UniChem for chemical match using the InChIKey UFZTZBNSLXELAL-IOSLPCCCSA-N
Search UniChem for chemicals with the same backbone UFZTZBNSLXELAL