| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 17th, 2009 | 25 | Yes |
Popular Name: DNC010757 DNC010757
None
| 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) | 3.91 | 10.22 | -100.89 | 3 | 5 | 2 | 56 | 336.439 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.88 | 8.91 | -10.85 | 1 | 5 | 0 | 50 | 334.423 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.91 | 8.01 | -38.59 | 2 | 5 | 1 | 55 | 335.431 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.91 | 10.68 | -164.78 | 4 | 5 | 3 | 57 | 337.447 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NQO2-1-E | Quinone Reductase 2 (cluster #1 Of 4), Eukaryotic | Eukaryotes | 427 | 0.36 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NQO2_HUMAN | P16083 | Quinone Reductase 2, Human | 427 | 0.36 | Binding ≤ 1μM |
| NQO2_HUMAN | P16083 | Quinone Reductase 2, Human | 427 | 0.36 | Binding ≤ 10μM |
