| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 8th, 2006 | 31 | No |
Popular Name: DNC011325 DNC011325
| 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) | 7.56 | 16.08 | -14.08 | 0 | 4 | 0 | 59 | 402.453 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 7.56 | 16.29 | -38.1 | 1 | 4 | 1 | 60 | 403.461 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NQO2-1-E | Quinone Reductase 2 (cluster #1 Of 4), Eukaryotic | Eukaryotes | 9600 | 0.23 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NQO2_HUMAN | P16083 | Quinone Reductase 2, Human | 9600 | 0.23 | Binding ≤ 10μM |
