| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 25th, 2008 | 17 | No |
Popular Name: 1-[(1S)-1-(benzothiophen-2-yl)ethyl]-1,3-dihydroxy-urea 1-[(1S)-1-(benzothiophen-2-yl)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) | 2.52 | 2.51 | -14.73 | 3 | 5 | 0 | 73 | 252.295 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.52 | 3.72 | -55.48 | 2 | 5 | -1 | 76 | 251.287 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.52 | 3.13 | -47.07 | 2 | 5 | -1 | 76 | 251.287 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.52 | 4.35 | -132.25 | 1 | 5 | -2 | 78 | 250.279 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| LOX5-2-E | Arachidonate 5-lipoxygenase (cluster #2 Of 7), Eukaryotic | Eukaryotes | 1800 | 0.47 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| LOX5_RAT | P12527 | Arachidonate 5-lipoxygenase, Rat | 1800 | 0.47 | Functional ≤ 10μM |
