| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 4th, 2009 | 30 | Yes |
Popular Name: (2S)-2-[2-[[(1S,2S)-2,3-bis(4-chlorophenyl)-1-methyl-propyl]amino]-2-oxo-ethyl]butanedioic (2S)-2-[2-[[(1S,2S)-2,3-bis(4-ch…
| 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) | 4.38 | 12.44 | -141.6 | 1 | 6 | -2 | 109 | 450.318 | 10 | ↓ |
| Mid Mid (pH 6-8) | 4.38 | 11.31 | -71.09 | 2 | 6 | -1 | 107 | 451.326 | 10 | ↓ |
| Lo Low (pH 4.5-6) | 4.38 | 11.24 | -58.76 | 2 | 6 | -1 | 107 | 451.326 | 10 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| FDFT-1-E | Squalene Synthetase (cluster #1 Of 4), Eukaryotic | Eukaryotes | 660 | 0.29 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| FDFT_HUMAN | P37268 | Squalene Synthetase, Human | 660 | 0.29 | Binding ≤ 1μM |
| FDFT_HUMAN | P37268 | Squalene Synthetase, Human | 660 | 0.29 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Activation of gene expression by SREBF (SREBP) | |
| Cholesterol biosynthesis | |
| PPARA activates gene expression |
