| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 17th, 2006 | 32 | Yes |
Popular Name: 4-hydroxy-3-[(4-hydroxy-2-oxo-chromen-3-yl)-(4-hydroxyphenyl)-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) | 4.04 | 8.8 | -139.74 | 1 | 7 | -2 | 127 | 426.38 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 4.04 | 8.53 | -66.29 | 2 | 7 | -1 | 124 | 427.388 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 4.04 | 8.15 | -60.34 | 2 | 7 | -1 | 124 | 427.388 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NQO1-1-E | Quinone Reductase 1) (cluster #1 Of 3), Eukaryotic | Eukaryotes | 2300 | 0.25 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NQO1_HUMAN | P15559 | Quinone Reductase 1), Human | 2300 | 0.25 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Regulation of ornithine decarboxylase (ODC) |
