dATPαS

Ligand id: 1715

Name: dATPαS

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 16
Hydrogen bond donors 6
Rotatable bonds 8
Topological polar surface area 303.35
Molecular weight 506.98
XLogP -3.37
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Metabolite or derivative
IUPAC Name
[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl] phosphono hydrogen phosphate
Synonyms
dATPalphaS
Database Links
ChEMBL Ligand CHEMBL2390988
PubChem CID 196416
Search Google for chemical match using the InChIKey CCPIKNHZOWQALM-DLQJRSQOSA-N
Search Google for chemicals with the same backbone CCPIKNHZOWQALM