In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 6th, 2008 | 30 | No |
None
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) | 7.59 | 17.79 | -13.6 | 1 | 3 | 0 | 46 | 415.662 | 16 | ↓ |
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 | 11 | 0.37 | Functional ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
EST1_RABIT | P12337 | Acyl Coenzyme A:cholesterol Acyltransferase, Rabit | 11 | 0.37 | Functional ≤ 10μM |