| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 13th, 2009 | 38 | No |
Popular Name: 3-(2,4-difluorophenyl)-1-[5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]pentyl]-1-propyl-urea 3-(2,4-difluorophenyl)-1-[5-[(4,…
| 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) | 7.75 | 17.3 | -13.87 | 2 | 5 | 0 | 61 | 534.676 | 12 | ↓ |
| Lo Low (pH 4.5-6) | 7.75 | 17.71 | -35.31 | 3 | 5 | 1 | 62 | 535.684 | 12 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SOAT1-1-E | Acyl Coenzyme A:cholesterol Acyltransferase 1 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 30 | 0.28 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SOAT1_RAT | O70536 | Acyl Coenzyme A:cholesterol Acyltransferase 1, Rat | 30 | 0.28 | Binding ≤ 1μM |
| SOAT1_RAT | O70536 | Acyl Coenzyme A:cholesterol Acyltransferase 1, Rat | 30 | 0.28 | Binding ≤ 10μM |
