| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 28th, 2010 | 27 | Yes |
Popular Name: 4-hydroxy-3-[(4-hydroxy-6-methyl-2-oxo-chromen-3-yl)methyl]-6-methyl-chromen-2-one 4-hydroxy-3-[(4-hydroxy-6-methyl…
| 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) | 4.17 | 11.28 | -143.52 | 0 | 6 | -2 | 107 | 362.337 | 2 | ↓ |
| Mid Mid (pH 6-8) | 4.17 | 10.5 | -64.53 | 1 | 6 | -1 | 104 | 363.345 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 4.17 | 9.72 | -19.01 | 2 | 6 | 0 | 101 | 364.353 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NQO1-1-E | Quinone Reductase 1) (cluster #1 Of 3), Eukaryotic | Eukaryotes | 5500 | 0.27 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NQO1_HUMAN | P15559 | Quinone Reductase 1), Human | 14 | 0.41 | Binding ≤ 1μM |
| NQO1_HUMAN | P15559 | Quinone Reductase 1), Human | 14 | 0.41 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Regulation of ornithine decarboxylase (ODC) |
