| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 20th, 2008 | 19 | 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) | 1.94 | -3.02 | -51.37 | 4 | 4 | 1 | 66 | 257.313 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 5.83e-02 g/l | DrugBank-experimental |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| LKHA4-2-E | Leukotriene A4 Hydrolase (cluster #2 Of 2), Eukaryotic | Eukaryotes | 300 | 0.48 | Binding ≤ 10μM |
| Z102213-1-O | Blood (cluster #1 Of 2), Other | Other | 7000 | 0.38 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| LKHA4_HUMAN | P09960 | Leukotriene A4 Hydrolase, Human | 135 | 0.51 | Binding ≤ 1μM |
| LKHA4_HUMAN | P09960 | Leukotriene A4 Hydrolase, Human | 135 | 0.51 | Binding ≤ 10μM |
| Z102213 | Z102213 | Blood | 7000 | 0.38 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Synthesis of Leukotrienes (LT) and Eoxins (EX) |
