| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 30th, 2009 | 27 | Yes |
Popular Name: 4,6-bis(benzylsulfanyl)-2-methylsulfanyl-pyrimidine-5-carboxylic 4,6-bis(benzylsulfanyl)-2-methyl…
| 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) | 5.84 | 13.41 | -49.38 | 0 | 4 | -1 | 66 | 413.569 | 8 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PPARG-1-E | Peroxisome Proliferator-activated Receptor Gamma (cluster #1 Of 2), Eukaryotic | Eukaryotes | 1770 | 0.30 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PPARG_MOUSE | P37238 | Peroxisome Proliferator-activated Receptor Gamma, Mouse | 158 | 0.35 | Functional ≤ 10μM |
| PPARG_HUMAN | P37231 | Peroxisome Proliferator-activated Receptor Gamma, Human | 140 | 0.36 | Functional ≤ 10μM |
| PPARG_RAT | O88275 | Peroxisome Proliferator-activated Receptor Gamma, Rat | 158 | 0.35 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Nuclear Receptor transcription pathway | |
| PPARA activates gene expression | |
| Transcriptional regulation of white adipocyte differentiation |
