| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 4th, 2008 | 22 | No |
Popular Name: N-hydroxy-N-[(1R)-1-[4-[(1R)-1-phenylethoxy]phenyl]ethyl]acetamide N-hydroxy-N-[(1R)-1-[4-[(1R)-1-p…
| 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) | 3.36 | 7.98 | -9.77 | 1 | 4 | 0 | 50 | 299.37 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.36 | 8.7 | -43.65 | 0 | 4 | -1 | 53 | 298.362 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| LOX5-6-E | Arachidonate 5-lipoxygenase (cluster #6 Of 6), Eukaryotic | Eukaryotes | 500 | 0.40 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| LOX5_RAT | P12527 | Arachidonate 5-lipoxygenase, Rat | 500 | 0.40 | Binding ≤ 1μM |
| LOX5_RAT | P12527 | Arachidonate 5-lipoxygenase, Rat | 500 | 0.40 | Binding ≤ 10μM |
