| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 25th, 2009 | 51 | No |
| 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) | 5.37 | 18.7 | -253.96 | 2 | 14 | -3 | 232 | 717.785 | 24 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| FDFT-1-E | Squalene Synthetase (cluster #1 Of 4), Eukaryotic | Eukaryotes | 1 | 0.25 | Binding ≤ 10μM |
| Z81020-2-O | HepG2 (Hepatoblastoma Cells) (cluster #2 Of 8), Other | Other | 2 | 0.24 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| FDFT_RAT | Q02769 | Squalene Synthetase, Rat | 0.8 | 0.25 | Binding ≤ 1μM |
| FDFT_HUMAN | P37268 | Squalene Synthetase, Human | 0.96 | 0.25 | Binding ≤ 1μM |
| FDFT_HUMAN | P37268 | Squalene Synthetase, Human | 0.96 | 0.25 | Binding ≤ 10μM |
| FDFT_RAT | Q02769 | Squalene Synthetase, Rat | 0.8 | 0.25 | Binding ≤ 10μM |
| Z81020 | Z81020 | HepG2 (Hepatoblastoma Cells) | 1.7 | 0.24 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Activation of gene expression by SREBF (SREBP) | |
| Cholesterol biosynthesis | |
| PPARA activates gene expression |
