| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 21st, 2005 | 37 | 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) | 4.34 | 16.11 | -62.58 | 2 | 7 | 0 | 96 | 495.579 | 12 | ↓ |
| Mid Mid (pH 6-8) | 4.34 | 16.02 | -51.76 | 1 | 7 | -1 | 95 | 494.571 | 12 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PPARG-2-E | Peroxisome Proliferator-activated Receptor Gamma (cluster #2 Of 2), Eukaryotic | Eukaryotes | 13 | 0.30 | Functional ≤ 10μM |
| Z50425-3-O | Plasmodium Falciparum (cluster #3 Of 22), Other | Other | 7943 | 0.19 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PPARG_MOUSE | P37238 | Peroxisome Proliferator-activated Receptor Gamma, Mouse | 13 | 0.30 | Functional ≤ 10μM |
| PPARG_HUMAN | P37231 | Peroxisome Proliferator-activated Receptor Gamma, Human | 6 | 0.31 | Functional ≤ 10μM |
| Z50425 | Z50425 | Plasmodium Falciparum | 10000 | 0.19 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Nuclear Receptor transcription pathway | |
| PPARA activates gene expression | |
| Transcriptional regulation of white adipocyte differentiation |
