| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 15th, 2006 | 33 | Yes |
Popular Name: 3-[(4,7-dihydroxy-2-oxo-chromen-3-yl)-phenyl-methyl]-4,7-dihydroxy-chromen-2-one 3-[(4,7-dihydroxy-2-oxo-chromen-…
| 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) | 3.52 | 5.57 | -132.39 | 2 | 8 | -2 | 147 | 442.379 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.52 | 5.75 | -135.51 | 2 | 8 | -2 | 147 | 442.379 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.52 | 3.44 | -33.7 | 4 | 8 | 0 | 141 | 444.395 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.52 | 4.97 | -57.76 | 3 | 8 | -1 | 144 | 443.387 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.52 | 4.39 | -26.99 | 4 | 8 | 0 | 141 | 444.395 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NQO1-1-E | Quinone Reductase 1) (cluster #1 Of 3), Eukaryotic | Eukaryotes | 7500 | 0.22 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NQO1_HUMAN | P15559 | Quinone Reductase 1), Human | 7500 | 0.22 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Regulation of ornithine decarboxylase (ODC) |
