| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 25th, 2008 | 24 | Yes |
Popular Name: (2S,6R)-1-[2-(4-benzylphenoxy)ethyl]-2,6-dimethyl-piperidine (2S,6R)-1-[2-(4-benzylphenoxy)et…
| 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) | 5.55 | 13.42 | -32.1 | 1 | 2 | 1 | 14 | 324.488 | 6 | ↓ |
| Hi High (pH 8-9.5) | 5.55 | 11.31 | -3.85 | 0 | 2 | 0 | 12 | 323.48 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| LKHA4-2-E | Leukotriene A4 Hydrolase (cluster #2 Of 2), Eukaryotic | Eukaryotes | 20 | 0.45 | Binding ≤ 10μM |
| LKHA4-1-E | Leukotriene A4 Hydrolase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 180 | 0.39 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| LKHA4_HUMAN | P09960 | Leukotriene A4 Hydrolase, Human | 20 | 0.45 | Binding ≤ 1μM |
| LKHA4_HUMAN | P09960 | Leukotriene A4 Hydrolase, Human | 20 | 0.45 | Binding ≤ 10μM |
| LKHA4_HUMAN | P09960 | Leukotriene A4 Hydrolase, Human | 180 | 0.39 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Synthesis of Leukotrienes (LT) and Eoxins (EX) |
