| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 15th, 2006 | 28 | Yes |
Popular Name: 2-hydroxy-3-[1-(2-hydroxy-4-oxo-chromen-3-yl)butyl]chromen-4-one 2-hydroxy-3-[1-(2-hydroxy-4-oxo-…
| 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) | 4.37 | 10.25 | -59.29 | 1 | 6 | -1 | 104 | 377.372 | 4 | ↓ |
| Mid Mid (pH 6-8) | 4.37 | 9.77 | -140.99 | 0 | 6 | -2 | 107 | 376.364 | 4 | ↓ |
| Mid Mid (pH 6-8) | 4.37 | 8.46 | -35.78 | 2 | 6 | 0 | 101 | 378.38 | 4 | ↓ |
| Mid Mid (pH 6-8) | 4.37 | 8.98 | -16.85 | 2 | 6 | 0 | 101 | 378.38 | 4 | ↓ |
| Mid Mid (pH 6-8) | 4.37 | 10.92 | -138.77 | 0 | 6 | -2 | 107 | 376.364 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NQO1-1-E | Quinone Reductase 1) (cluster #1 Of 3), Eukaryotic | Eukaryotes | 588 | 0.31 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NQO1_HUMAN | P15559 | Quinone Reductase 1), Human | 588 | 0.31 | Binding ≤ 1μM |
| NQO1_HUMAN | P15559 | Quinone Reductase 1), Human | 5322 | 0.26 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Regulation of ornithine decarboxylase (ODC) |
