| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 5th, 2004 | 29 | No |
Popular Name: 5-(4-(2-(4-nitrophenoxy)ethoxy)benzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione 5-(4-(2-(4-nitrophenoxy)ethoxy)b…
| 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) | 2.45 | 2.83 | -46.66 | 1 | 10 | -1 | 150 | 396.335 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.99 | 5.28 | -16.02 | 2 | 10 | 0 | 147 | 397.343 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.45 | 2.69 | -48.3 | 1 | 10 | -1 | 150 | 396.335 | 7 | ↓ |
| 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 | 2500 | 0.27 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PPARG_MOUSE | P37238 | Peroxisome Proliferator-activated Receptor Gamma, Mouse | 2500 | 0.27 | Binding ≤ 10μM |
