| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 7th, 2009 | 26 | Yes |
| 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) | 4.88 | 12.02 | -47.84 | 2 | 3 | 1 | 35 | 348.466 | 10 | ↓ |
| Hi High (pH 8-9.5) | 4.88 | 10.55 | -7.34 | 1 | 3 | 0 | 30 | 347.458 | 10 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| FDFT-4-E | Squalene Synthetase (cluster #4 Of 4), Eukaryotic | Eukaryotes | 15 | 0.42 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| FDFT_RAT | Q02769 | Squalene Synthetase, Rat | 15 | 0.42 | Binding ≤ 1μM |
| FDFT_RAT | Q02769 | Squalene Synthetase, Rat | 15 | 0.42 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Activation of gene expression by SREBF (SREBP) | |
| Cholesterol biosynthesis | |
| PPARA activates gene expression |
