| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 28th, 2010 | 23 | Yes |
Popular Name: DNC010009 DNC010009
None
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 4.77 | 10.5 | -51.01 | 0 | 3 | -1 | 53 | 301.321 | 2 | ↓ |
| Mid Mid (pH 6-8) | 4.77 | 9.9 | -16.73 | 1 | 3 | 0 | 50 | 302.329 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NQO1-1-E | Quinone Reductase 1) (cluster #1 Of 3), Eukaryotic | Eukaryotes | 24 | 0.46 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NQO1_HUMAN | P15559 | Quinone Reductase 1), Human | 24 | 0.46 | Binding ≤ 1μM |
| NQO1_HUMAN | P15559 | Quinone Reductase 1), Human | 1522 | 0.35 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Regulation of ornithine decarboxylase (ODC) |
