| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 8th, 2006 | 31 | Yes |
| 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) | 4.68 | 12.76 | -68.06 | 0 | 6 | -1 | 93 | 409.373 | 1 | ↓ |
| Mid Mid (pH 6-8) | 4.68 | 12.13 | -20.03 | 1 | 6 | 0 | 90 | 410.381 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NQO1-1-E | Quinone Reductase 1) (cluster #1 Of 3), Eukaryotic | Eukaryotes | 650 | 0.28 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NQO1_HUMAN | P15559 | Quinone Reductase 1), Human | 200 | 0.30 | Binding ≤ 1μM |
| NQO1_HUMAN | P15559 | Quinone Reductase 1), Human | 200 | 0.30 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Regulation of ornithine decarboxylase (ODC) |
