| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 26th, 2009 | 43 | No |
Popular Name: 1-(2,6-diisopropylphenyl)-3-[(2R)-2-(octadecylamino)-2-phenyl-ethyl]urea 1-(2,6-diisopropylphenyl)-3-[(2R…
| 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) | 9.68 | 23.2 | -49.15 | 4 | 4 | 1 | 58 | 592.977 | 24 | ↓ |
| Hi High (pH 8-9.5) | 9.68 | 22.32 | -7.73 | 3 | 4 | 0 | 53 | 591.969 | 24 | ↓ |
| 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 | 230 | 0.22 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SOAT1_RAT | O70536 | Acyl Coenzyme A:cholesterol Acyltransferase 1, Rat | 230 | 0.22 | Binding ≤ 1μM |
| SOAT1_RAT | O70536 | Acyl Coenzyme A:cholesterol Acyltransferase 1, Rat | 230 | 0.22 | Binding ≤ 10μM |
