| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 24th, 2008 | 28 | No |
Popular Name: (1S)-1-phosphono-4-[3-(4-propylphenoxy)phenyl]butane-1-sulfonic (1S)-1-phosphono-4-[3-(4-propylp…
| 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) | 1.74 | 6.34 | -117.58 | 1 | 7 | -2 | 127 | 426.427 | 10 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| FDFT-1-E | Squalene Synthetase (cluster #1 Of 4), Eukaryotic | Eukaryotes | 1900 | 0.29 | Binding ≤ 10μM |
| CRTM-1-B | Dehydrosqualene Synthase (cluster #1 Of 1), Bacterial | Bacteria | 5 | 0.42 | Binding ≤ 10μM |
| Z50185-2-O | Staphylococcus Aureus (cluster #2 Of 4), Other | Other | 93 | 0.35 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CRTM_STAAU | A9JQL9 | Dehydrosqualene Synthase, Staau | 5 | 0.42 | Binding ≤ 1μM |
| CRTM_STAAU | A9JQL9 | Dehydrosqualene Synthase, Staau | 2200 | 0.28 | Binding ≤ 10μM |
| FDFT_HUMAN | P37268 | Squalene Synthetase, Human | 1900 | 0.29 | Binding ≤ 10μM |
| Z50185 | Z50185 | Staphylococcus Aureus | 93 | 0.35 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Activation of gene expression by SREBF (SREBP) | |
| Cholesterol biosynthesis | |
| PPARA activates gene expression |
