| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 25th, 2008 | 14 | No |
Popular Name: 1,2,4-Triazin-3(2H)-one, 1-(6-fluoro-2-pyridinyl)tetrahydro- (9CI) 1,2,4-Triazin-3(2H)-one, 1-(6-fl…
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CAS Number: 181881-31-2
| 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) | 0.92 | 1.69 | -9.34 | 2 | 5 | 0 | 57 | 196.185 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| LOX5-5-E | Arachidonate 5-lipoxygenase (cluster #5 Of 6), Eukaryotic | Eukaryotes | 9100 | 0.50 | Binding ≤ 10μM |
| LOX5-3-E | Arachidonate 5-lipoxygenase (cluster #3 Of 7), Eukaryotic | Eukaryotes | 3000 | 0.55 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| LOX5_RAT | P12527 | Arachidonate 5-lipoxygenase, Rat | 9100 | 0.50 | Binding ≤ 10μM |
| LOX5_HUMAN | P09917 | Arachidonate 5-lipoxygenase, Human | 3000 | 0.55 | 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.