| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 28th, 2010 | 29 | Yes |
Popular Name: DNC010005 DNC010005
| 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) | 2.79 | 9.64 | -141.64 | 0 | 8 | -2 | 133 | 392.319 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.79 | 8.84 | -69.24 | 1 | 8 | -1 | 130 | 393.327 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.79 | 8.22 | -30.69 | 2 | 8 | 0 | 127 | 394.335 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NQO1-2-E | Quinone Reductase 1) (cluster #2 Of 3), Eukaryotic | Eukaryotes | 1221 | 0.29 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NQO1_HUMAN | P15559 | Quinone Reductase 1), Human | 1221 | 0.29 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Regulation of ornithine decarboxylase (ODC) |
