| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 17th, 2006 | 35 | Yes |
Popular Name: 4-hydroxy-3-[(4-hydroxy-2-oxo-chromen-3-yl)-(2-naphthyl)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) | 5.71 | 12.66 | -63.12 | 1 | 6 | -1 | 104 | 461.449 | 3 | ↓ |
| Mid Mid (pH 6-8) | 5.71 | 13.68 | -148.15 | 0 | 6 | -2 | 107 | 460.441 | 3 | ↓ |
| Mid Mid (pH 6-8) | 5.71 | 11.39 | -28.73 | 2 | 6 | 0 | 101 | 462.457 | 3 | ↓ |
| Mid Mid (pH 6-8) | 5.71 | 12.92 | -60.81 | 1 | 6 | -1 | 104 | 461.449 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 5.71 | 12.32 | -27.68 | 2 | 6 | 0 | 101 | 462.457 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NQO1-2-E | Quinone Reductase 1) (cluster #2 Of 3), Eukaryotic | Eukaryotes | 8500 | 0.20 | Binding ≤ 10μM |
| Q7ZJM1-1-V | Human Immunodeficiency Virus Type 1 Integrase (cluster #1 Of 6), Viral | Viruses | 9000 | 0.20 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NQO1_HUMAN | P15559 | Quinone Reductase 1), Human | 140 | 0.27 | Binding ≤ 1μM |
| Q7ZJM1_9HIV1 | Q7ZJM1 | Human Immunodeficiency Virus Type 1 Integrase, 9hiv1 | 9000 | 0.20 | Binding ≤ 10μM |
| NQO1_HUMAN | P15559 | Quinone Reductase 1), Human | 140 | 0.27 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Regulation of ornithine decarboxylase (ODC) |
