| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 25th, 2008 | 20 | No |
Popular Name: 1-[(1S)-1-(5-tert-butylbenzothiophen-2-yl)ethyl]-1-hydroxy-urea 1-[(1S)-1-(5-tert-butylbenzothio…
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) | 4.15 | 4.72 | -9.9 | 3 | 4 | 0 | 67 | 292.404 | 3 | ↓ |
| Hi High (pH 8-9.5) | 4.15 | 5.36 | -43.81 | 2 | 4 | -1 | 69 | 291.396 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| LOX5-2-E | Arachidonate 5-lipoxygenase (cluster #2 Of 7), Eukaryotic | Eukaryotes | 710 | 0.43 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| LOX5_RAT | P12527 | Arachidonate 5-lipoxygenase, Rat | 710 | 0.43 | Functional ≤ 10μM |
