| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 9th, 2004 | 28 | Yes |
Popular Name: 1-(2,6-diisopropylphenyl)-3-[(1-phenylcyclopentyl)methyl]urea 1-(2,6-diisopropylphenyl)-3-[(1-…
| 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) | 5.57 | 1.28 | -6.58 | 2 | 3 | 0 | 41 | 378.56 | 6 | ↓ |
| 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 | 17 | 0.39 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SOAT1_HUMAN | P35610 | Acyl Coenzyme A:cholesterol Acyltransferase 1, Human | 17 | 0.39 | Binding ≤ 1μM |
| SOAT1_RAT | O70536 | Acyl Coenzyme A:cholesterol Acyltransferase 1, Rat | 17 | 0.39 | Binding ≤ 1μM |
| SOAT1_HUMAN | P35610 | Acyl Coenzyme A:cholesterol Acyltransferase 1, Human | 17 | 0.39 | Binding ≤ 10μM |
| SOAT1_RAT | O70536 | Acyl Coenzyme A:cholesterol Acyltransferase 1, Rat | 17 | 0.39 | Binding ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.