| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 26th, 2009 | 24 | No |
Popular Name: 1-[4-[(1R)-2-hydroxy-1-methyl-ethyl]-1-piperidyl]tridecan-1-one 1-[4-[(1R)-2-hydroxy-1-methyl-et…
| 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) | 6.54 | 10.69 | -9.07 | 1 | 3 | 0 | 41 | 339.564 | 13 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ERG7-2-E | Lanosterol Synthase (cluster #2 Of 3), Eukaryotic | Eukaryotes | 10000 | 0.29 | Binding ≤ 10μM |
| Z81020-4-O | HepG2 (Hepatoblastoma Cells) (cluster #4 Of 8), Other | Other | 12 | 0.46 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ERG7_RAT | P48450 | Lanosterol Synthase, Rat | 10000 | 0.29 | Binding ≤ 10μM |
| Z81020 | Z81020 | HepG2 (Hepatoblastoma Cells) | 12 | 0.46 | Functional ≤ 10μM |
