| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 23rd, 2009 | 51 | No |
Popular Name: (1R,2R,3S,4S)-2,4-bis[(4-phenoxyphenyl)methyl-propyl-carbamoyl]cyclopentane-1,3-dicarboxylic (1R,2R,3S,4S)-2,4-bis[(4-phenoxy…
| 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) | 7.18 | 23.55 | -146.67 | 0 | 10 | -2 | 139 | 690.793 | 16 | ↓ |
| Lo Low (pH 4.5-6) | 7.18 | 21.7 | -84.93 | 1 | 10 | -1 | 137 | 691.801 | 16 | ↓ |
| Lo Low (pH 4.5-6) | 7.18 | 21.78 | -76.45 | 1 | 10 | -1 | 137 | 691.801 | 16 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| FDFT-1-E | Squalene Synthetase (cluster #1 Of 4), Eukaryotic | Eukaryotes | 2900 | 0.15 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| FDFT_RAT | Q02769 | Squalene Synthetase, Rat | 2900 | 0.15 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Activation of gene expression by SREBF (SREBP) | |
| Cholesterol biosynthesis | |
| PPARA activates gene expression |
