| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 26th, 2008 | 28 | No |
Popular Name: 1-hydroxy-1-[[6-[[4-(trifluoromethyl)phenyl]methoxy]-2H-chromen-3-yl]methyl]urea 1-hydroxy-1-[[6-[[4-(trifluorome…
| 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) | 3.80 | 5.32 | -12.85 | 3 | 6 | 0 | 85 | 394.349 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.80 | 5.94 | -45.48 | 2 | 6 | -1 | 88 | 393.341 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| LOX5-1-E | Arachidonate 5-lipoxygenase (cluster #1 Of 6), Eukaryotic | Eukaryotes | 490 | 0.32 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| LOX5_HUMAN | P09917 | Arachidonate 5-lipoxygenase, Human | 430 | 0.32 | Binding ≤ 1μM |
| LOX5_HUMAN | P09917 | Arachidonate 5-lipoxygenase, Human | 430 | 0.32 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Synthesis of 5-eicosatetraenoic acids | |
| Synthesis of Leukotrienes (LT) and Eoxins (EX) | |
| Synthesis of Lipoxins (LX) |
