| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2004 | 17 | Yes |
Popular Name: DNC011996 DNC011996
| 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) | 2.74 | 7.01 | -11.97 | 1 | 3 | 0 | 38 | 224.263 | 2 | ↓ |
| Mid Mid (pH 6-8) | 3.19 | 5.03 | -12.05 | 1 | 3 | 0 | 38 | 224.263 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| LOX5-4-E | Arachidonate 5-lipoxygenase (cluster #4 Of 7), Eukaryotic | Eukaryotes | 360 | 0.53 | Functional ≤ 10μM |
| Z50597-10-O | Rattus Norvegicus (cluster #10 Of 12), Other | Other | 360 | 0.53 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| LOX5_RAT | P12527 | Arachidonate 5-lipoxygenase, Rat | 360 | 0.53 | Functional ≤ 10μM |
| Z50597 | Z50597 | Rattus Norvegicus | 360 | 0.53 | Functional ≤ 10μM |
