| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 5th, 2010 | 35 | No |
Popular Name: (3R,7S)-N-(2,6-diisopropylphenyl)-7-dodecyl-2-oxo-azepane-3-carboxamide (3R,7S)-N-(2,6-diisopropylphenyl…
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| 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) | 8.42 | 15.62 | -5.28 | 2 | 4 | 0 | 58 | 484.769 | 15 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| EST1-1-E | Acyl Coenzyme A:cholesterol Acyltransferase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 22 | 0.31 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| EST1_RABIT | P12337 | Acyl Coenzyme A:cholesterol Acyltransferase, Rabit | 22 | 0.31 | Functional ≤ 10μM |
