| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 12th, 2008 | 28 | No |
Popular Name: 4-[4-(4-fluorophenyl)-5-(4-pyridyl)-1H-imidazol-2-yl]-N'-hydroxy-benzamidine 4-[4-(4-fluorophenyl)-5-(4-pyrid…
None
| 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) | 2.58 | -2.61 | -11.35 | 4 | 6 | 0 | 100 | 373.391 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.58 | -2.41 | -41.8 | 5 | 6 | 1 | 101 | 374.399 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.58 | -2.48 | -43.49 | 5 | 6 | 1 | 101 | 374.399 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.58 | -2.3 | -100.54 | 6 | 6 | 2 | 103 | 375.407 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| LOX5-1-E | Arachidonate 5-lipoxygenase (cluster #1 Of 7), Eukaryotic | Eukaryotes | 190 | 0.34 | Functional ≤ 10μM |
| Z100081-1-O | PBMC (Peripheral Blood Mononuclear Cells) (cluster #1 Of 4), Other | Other | 190 | 0.34 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| LOX5_HUMAN | P09917 | Arachidonate 5-lipoxygenase, Human | 190 | 0.34 | Functional ≤ 10μM |
| Z100081 | Z100081 | PBMC (Peripheral Blood Mononuclear Cells) | 190 | 0.34 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Synthesis of 5-eicosatetraenoic acids | |
| Synthesis of Leukotrienes (LT) and Eoxins (EX) | |
| Synthesis of Lipoxins (LX) |
