| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 28th, 2006 | 28 | No |
Popular Name: BRD-K88544581-001-01-2 BRD-K88544581-001-01-2
| 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) | 7.28 | 2.43 | -12.01 | 1 | 5 | 0 | 56 | 393.568 | 14 | ↓ |
| 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 | 926 | 0.30 | Binding ≤ 10μM |
| SOAT2-1-E | Acyl Coenzyme A:cholesterol Acyltransferase 2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 110 | 0.35 | Binding ≤ 10μM |
| Z50597-1-O | Rattus Norvegicus (cluster #1 Of 12), Other | Other | 3800 | 0.27 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SOAT1_HUMAN | P35610 | Acyl Coenzyme A:cholesterol Acyltransferase 1, Human | 140 | 0.34 | Binding ≤ 1μM |
| SOAT1_RAT | O70536 | Acyl Coenzyme A:cholesterol Acyltransferase 1, Rat | 110 | 0.35 | Binding ≤ 1μM |
| SOAT2_RAT | Q7TQM4 | Acyl Coenzyme A:cholesterol Acyltransferase 2, Rat | 110 | 0.35 | Binding ≤ 1μM |
| SOAT1_HUMAN | P35610 | Acyl Coenzyme A:cholesterol Acyltransferase 1, Human | 140 | 0.34 | Binding ≤ 10μM |
| SOAT1_RAT | O70536 | Acyl Coenzyme A:cholesterol Acyltransferase 1, Rat | 110 | 0.35 | Binding ≤ 10μM |
| SOAT2_RAT | Q7TQM4 | Acyl Coenzyme A:cholesterol Acyltransferase 2, Rat | 110 | 0.35 | Binding ≤ 10μM |
| Z50597 | Z50597 | Rattus Norvegicus | 3800 | 0.27 | Functional ≤ 10μM |
