| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 4th, 2006 | 27 | Yes |
Popular Name: 3-[(2,4-dihydroxy-7-oxo-chromen-3-yl)methyl]-2,4-dihydroxy-chromen-7-one 3-[(2,4-dihydroxy-7-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) | 2.32 | 4.23 | -133.22 | 2 | 8 | -2 | 147 | 366.281 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.32 | 4.31 | -134.8 | 2 | 8 | -2 | 147 | 366.281 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.32 | 2.65 | -20.94 | 4 | 8 | 0 | 141 | 368.297 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.32 | 3.47 | -61.71 | 3 | 8 | -1 | 144 | 367.289 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 2.32 | 2.67 | -21.93 | 4 | 8 | 0 | 141 | 368.297 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NQO1-1-E | Quinone Reductase 1) (cluster #1 Of 3), Eukaryotic | Eukaryotes | 5 | 0.43 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NQO1_HUMAN | P15559 | Quinone Reductase 1), Human | 350 | 0.33 | Binding ≤ 1μM |
| NQO1_HUMAN | P15559 | Quinone Reductase 1), Human | 350 | 0.33 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Regulation of ornithine decarboxylase (ODC) |
