| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 26th, 2007 | 21 | Yes |
Popular Name: DNC011301 DNC011301
| 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) | 4.64 | 10.13 | -11.09 | 1 | 2 | 0 | 29 | 270.335 | 2 | ↓ |
| Mid Mid (pH 6-8) | 4.64 | 10.45 | -31.31 | 2 | 2 | 1 | 30 | 271.343 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NQO2-1-E | Quinone Reductase 2 (cluster #1 Of 4), Eukaryotic | Eukaryotes | 1800 | 0.38 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NQO2_HUMAN | P16083 | Quinone Reductase 2, Human | 1800 | 0.38 | Binding ≤ 10μM |
