| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 28th, 2010 | 29 | Yes |
Popular Name: 4-hydroxy-3-[(4-hydroxy-6-methoxy-2-oxo-chromen-3-yl)methyl]-6-methoxy-chromen-2-one 4-hydroxy-3-[(4-hydroxy-6-methox…
| 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) | 3.39 | 8.51 | -142.47 | 0 | 8 | -2 | 125 | 394.335 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.39 | 7.73 | -63.72 | 1 | 8 | -1 | 122 | 395.343 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.39 | 6.93 | -18.4 | 2 | 8 | 0 | 119 | 396.351 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NQO1-1-E | Quinone Reductase 1) (cluster #1 Of 3), Eukaryotic | Eukaryotes | 3300 | 0.26 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NQO1_HUMAN | P15559 | Quinone Reductase 1), Human | 11 | 0.38 | Binding ≤ 1μM |
| NQO1_HUMAN | P15559 | Quinone Reductase 1), Human | 11 | 0.38 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Regulation of ornithine decarboxylase (ODC) |
