| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 26th, 2009 | 25 | No |
Popular Name: (4aS,5S,6S,8aS)-2-dodecyl-5,8a-dimethyl-1,3,4,4a,5,6,7,8-octahydroisoquinolin-6-ol (4aS,5S,6S,8aS)-2-dodecyl-5,8a-d…
| 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) | 7.44 | 12.86 | -36.69 | 2 | 2 | 1 | 25 | 352.627 | 11 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ERG7-2-E | Lanosterol Synthase (cluster #2 Of 3), Eukaryotic | Eukaryotes | 550 | 0.35 | Binding ≤ 10μM |
| Z81020-4-O | HepG2 (Hepatoblastoma Cells) (cluster #4 Of 8), Other | Other | 10 | 0.45 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ERG7_RAT | P48450 | Lanosterol Synthase, Rat | 550 | 0.35 | Binding ≤ 1μM |
| ERG7_RAT | P48450 | Lanosterol Synthase, Rat | 550 | 0.35 | Binding ≤ 10μM |
| Z81020 | Z81020 | HepG2 (Hepatoblastoma Cells) | 10 | 0.45 | Functional ≤ 10μM |
