NADH

Ligand id: 4487

Name: NADH

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 21
Hydrogen bond donors 8
Rotatable bonds 11
Topological polar surface area 337.24
Molecular weight 665.12
XLogP -5.38
No. Lipinski's rules broken 3

Molecular properties generated using the CDK

Classification
Compound class Metabolite or derivative
IUPAC Name
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [[(2R,3S,4R,5R)-5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate
Database Links
CAS Registry No. 58-68-4 (source: Scifinder)
ChEBI CHEBI:16908
DrugBank Ligand DB00157
PubChem CID 439153
RCSB PDB Ligand NAI
Search Google for chemical match using the InChIKey BOPGDPNILDQYTO-NNYOXOHSSA-N
Search Google for chemicals with the same backbone BOPGDPNILDQYTO
Search UniChem for chemical match using the InChIKey BOPGDPNILDQYTO-NNYOXOHSSA-N
Search UniChem for chemicals with the same backbone BOPGDPNILDQYTO