| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 18th, 2010 | 42 | No |
Popular Name: DNC004870 DNC004870
| 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) | 4.27 | 14.26 | -21.04 | 0 | 11 | 0 | 144 | 581.618 | 8 | ↓ |
| Mid Mid (pH 6-8) | 4.86 | 13.98 | -67.91 | 0 | 11 | -1 | 150 | 580.61 | 8 | ↓ |
| 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 | 640 | 0.21 | Binding ≤ 10μM |
| SOAT2-1-E | Acyl Coenzyme A:cholesterol Acyltransferase 2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 640 | 0.21 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SOAT1_HUMAN | P35610 | Acyl Coenzyme A:cholesterol Acyltransferase 1, Human | 640 | 0.21 | Binding ≤ 1μM |
| SOAT1_RAT | O70536 | Acyl Coenzyme A:cholesterol Acyltransferase 1, Rat | 170 | 0.23 | Binding ≤ 1μM |
| SOAT2_HUMAN | O75908 | Acyl Coenzyme A:cholesterol Acyltransferase 2, Human | 640 | 0.21 | Binding ≤ 1μM |
| SOAT1_RAT | O70536 | Acyl Coenzyme A:cholesterol Acyltransferase 1, Rat | 170 | 0.23 | Binding ≤ 10μM |
| SOAT1_HUMAN | P35610 | Acyl Coenzyme A:cholesterol Acyltransferase 1, Human | 640 | 0.21 | Binding ≤ 10μM |
| SOAT2_HUMAN | O75908 | Acyl Coenzyme A:cholesterol Acyltransferase 2, Human | 640 | 0.21 | Binding ≤ 10μM |
