In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 25th, 2008 | 17 | No |
Popular Name: 1-[(1S)-1-(benzothiophen-2-yl)ethyl]-1-hydroxy-3-methyl-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) | 2.84 | 3.92 | -10.7 | 2 | 4 | 0 | 53 | 250.323 | 2 | ↓ |
Hi High (pH 8-9.5) | 2.84 | 4.54 | -46.06 | 1 | 4 | -1 | 55 | 249.315 | 2 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
LOX5-2-E | Arachidonate 5-lipoxygenase (cluster #2 Of 7), Eukaryotic | Eukaryotes | 650 | 0.51 | Functional ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
LOX5_RAT | P12527 | Arachidonate 5-lipoxygenase, Rat | 650 | 0.51 | Functional ≤ 10μM |