| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 18th, 2011 | 27 | No |
Popular Name: (5Z)-5-[[3-methoxy-4-[2-(trifluoromethyl)phenoxy]phenyl]methylene]thiazolidine-2,4-dione (5Z)-5-[[3-methoxy-4-[2-(trifluo…
None
| 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) | 3.87 | 6.85 | -12.42 | 1 | 5 | 0 | 68 | 395.358 | 5 | ↓ |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ERR1_HUMAN | P11474 | Estrogen-related Receptor Alpha, Human | 68 | 0.37 | Functional ≤ 10μM |
| CP3A4_HUMAN | P08684 | Cytochrome P450 3A4, Human | 1900 | 0.30 | ADME/T ≤ 10μM |
| Description | Species |
|---|---|
| Aflatoxin activation and detoxification | |
| Nuclear Receptor transcription pathway | |
| PPARA activates gene expression | |
| Transcriptional activation of mitochondrial biogenesis | |
| Xenobiotics |
No pre-computed analogs available. Try a structural similarity search.
