| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 3rd, 2009 | 26 | Yes |
Popular Name: DNC010755 DNC010755
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) | 3.41 | 7.08 | -103.59 | 4 | 6 | 2 | 76 | 352.438 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.38 | 5.68 | -14.06 | 2 | 6 | 0 | 70 | 350.422 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.41 | 4.77 | -41.15 | 3 | 6 | 1 | 75 | 351.43 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.38 | 7.98 | -48.59 | 3 | 6 | 1 | 71 | 351.43 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.41 | 7.53 | -169.81 | 5 | 6 | 3 | 77 | 353.446 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NQO2-1-E | Quinone Reductase 2 (cluster #1 Of 4), Eukaryotic | Eukaryotes | 953 | 0.32 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NQO2_HUMAN | P16083 | Quinone Reductase 2, Human | 953 | 0.32 | Binding ≤ 1μM |
| NQO2_HUMAN | P16083 | Quinone Reductase 2, Human | 953 | 0.32 | Binding ≤ 10μM |
