In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 27th, 2009 | 44 | No |
58-68-4; C00004; DPNH; NADH; Reduced nicotinamide adenine dinucleotide
CHEBI:44216; CHEBI:13396; CHEBI:13395; CHEBI:21902; CHEBI:7423
dihydrodiphosphopyridine nucleotide
dihydronicotinamide adenine dinucleotide
diphosphopyridine nucleotide reduced
Nicotinamide adenine dinucleotide
nicotinamide adenine dinucleotide reduced
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Lo Low (pH 4.5-6) | -5.46 | -7.7 | -144.18 | 8 | 21 | -1 | 324 | 664.438 | 11 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
ALOGPS_SOLUBILITY | 2.95e+00 g/l | DrugBank-approved |
UniProt Database Links | 2ENR_CLOTY; 3BHD_COMTE; 3BHS1_HUMAN; 3BHS1_MACMU; 3BHS1_MESAU; 3BHS1_MOUSE; 3BHS1_RAT; 3BHS2_HUMAN; 3BHS2_MESAU; 3BHS2_MOUSE; 3BHS2_RAT; 3BHS3_MOUSE; 3BHS4_RAT; 3BHS6_MOUSE; 3BHS7_HUMAN; 3BHS7_MOUSE; 3BHS7_RAT; 3BHS_BOVIN; 3BHS_CANFA; 3BHS_FOWPN; 3BHS_HOR | ChEBI |
UniProt Database Links | 2ENR_CLOTY; 3BHS1_HUMAN; 3BHS1_MACMU; 3BHS1_MESAU; 3BHS1_MOUSE; 3BHS1_RAT; 3BHS2_HUMAN; 3BHS2_MESAU; 3BHS2_MOUSE; 3BHS2_RAT; 3BHS3_MOUSE; 3BHS4_RAT; 3BHS6_MOUSE; 3BHS7_HUMAN; 3BHS7_MOUSE; 3BHS7_RAT; 3BHS_BOVIN; 3BHS_CANFA; 3BHS_FOWPN; 3BHS_HORSE; 3BHS_MYC | ChEBI |
Patent Database Links | EP1318200; EP1531180; EP1586325; EP1826267; EP1847606; EP1938841; EP1972629; EP1987836; US2003105347; US2003181492; US2004176570; US2004235124; US2005049313; US2005124040; US2005159401; US2005181443; US2005214885; US2005227336; US2005272136; US2005276870 | ChEBI |
Reactome Database Links | REACT_10031; REACT_10053; REACT_10056; REACT_10065; REACT_10067; REACT_10090; REACT_1010; REACT_10115; REACT_1068; REACT_1077; REACT_1080; REACT_11169; REACT_11182; REACT_11216; REACT_1146; REACT_115982; REACT_116077; REACT_120926; REACT_121064; REACT_121 | ChEBI |
No pre-computed analogs available. Try a structural similarity search.