| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 26th, 2009 | 41 | No |
Popular Name: 1-[5-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]pentyl]-1-heptyl-3-isopropyl-urea 1-[5-[[4,5-bis(4-methoxyphenyl)-…
| 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) | 8.79 | 17 | -15.17 | 2 | 7 | 0 | 79 | 580.839 | 18 | ↓ |
| Lo Low (pH 4.5-6) | 8.79 | 17.42 | -36.64 | 3 | 7 | 1 | 81 | 581.847 | 18 | ↓ |
| 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 | 4 | 0.29 | Binding ≤ 10μM |
| SOAT2-1-E | Acyl Coenzyme A:cholesterol Acyltransferase 2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 4 | 0.29 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SOAT1_MOUSE | Q61263 | Acyl Coenzyme A:cholesterol Acyltransferase 1, Mouse | 4 | 0.29 | Binding ≤ 1μM |
| SOAT1_RAT | O70536 | Acyl Coenzyme A:cholesterol Acyltransferase 1, Rat | 160 | 0.23 | Binding ≤ 1μM |
| SOAT2_MOUSE | O88908 | Acyl Coenzyme A:cholesterol Acyltransferase 2, Mouse | 4 | 0.29 | Binding ≤ 1μM |
| SOAT1_RAT | O70536 | Acyl Coenzyme A:cholesterol Acyltransferase 1, Rat | 160 | 0.23 | Binding ≤ 10μM |
| SOAT1_MOUSE | Q61263 | Acyl Coenzyme A:cholesterol Acyltransferase 1, Mouse | 4 | 0.29 | Binding ≤ 10μM |
| SOAT2_MOUSE | O88908 | Acyl Coenzyme A:cholesterol Acyltransferase 2, Mouse | 4 | 0.29 | Binding ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.
