| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2005 | 33 | Yes |
Popular Name: 4-hydroxy-3-[(4-hydroxy-2-oxo-chromen-3-yl)-(4-methoxyphenyl)-methyl]-chromen-2-one 4-hydroxy-3-[(4-hydroxy-2-oxo-ch…
| 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) | 4.58 | 10.57 | -139.4 | 0 | 7 | -2 | 116 | 440.407 | 4 | ↓ |
| Mid Mid (pH 6-8) | 4.58 | 9.97 | -60.78 | 1 | 7 | -1 | 113 | 441.415 | 4 | ↓ |
| Mid Mid (pH 6-8) | 4.58 | 9.63 | -28.94 | 2 | 7 | 0 | 110 | 442.423 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NQO1-1-E | Quinone Reductase 1) (cluster #1 Of 3), Eukaryotic | Eukaryotes | 8700 | 0.21 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NQO1_HUMAN | P15559 | Quinone Reductase 1), Human | 220 | 0.28 | Binding ≤ 1μM |
| NQO1_HUMAN | P15559 | Quinone Reductase 1), Human | 220 | 0.28 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Regulation of ornithine decarboxylase (ODC) |
