| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 26th, 2008 | 11 | Yes |
| 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) | 1.14 | 3.06 | -11.19 | 1 | 3 | 0 | 38 | 148.165 | 0 | ↓ |
| Mid Mid (pH 6-8) | 1.60 | 1.13 | -11.88 | 1 | 3 | 0 | 38 | 148.165 | 0 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| LOX5-4-E | Arachidonate 5-lipoxygenase (cluster #4 Of 7), Eukaryotic | Eukaryotes | 1300 | 0.75 | Functional ≤ 10μM |
| Z50588-4-O | Canis Familiaris (cluster #4 Of 7), Other | Other | 200 | 0.85 | Functional ≤ 10μM |
| Z50597-10-O | Rattus Norvegicus (cluster #10 Of 12), Other | Other | 1300 | 0.75 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| LOX5_RAT | P12527 | Arachidonate 5-lipoxygenase, Rat | 1300 | 0.75 | Functional ≤ 10μM |
| LOX5_HUMAN | P09917 | Arachidonate 5-lipoxygenase, Human | 200 | 0.85 | Functional ≤ 10μM |
| Z50588 | Z50588 | Canis Familiaris | 200 | 0.85 | Functional ≤ 10μM |
| Z50597 | Z50597 | Rattus Norvegicus | 1300 | 0.75 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Synthesis of 5-eicosatetraenoic acids | |
| Synthesis of Leukotrienes (LT) and Eoxins (EX) | |
| Synthesis of Lipoxins (LX) |
No pre-computed analogs available. Try a structural similarity search.