| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 8th, 2012 | 13 | No |
Popular Name: 1-(1,3-dimethylpyrazol-4-yl)-2,2-difluoro-ethanone 1-(1,3-dimethylpyrazol-4-yl)-2,2…
Find On: PubMed — Wikipedia — Google
CAS Number: 1245782-76-6
| 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) | 0.70 | 1.46 | -9.49 | 1 | 4 | 0 | 50 | 189.165 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.70 | 2.47 | -48.32 | 0 | 4 | -1 | 53 | 188.157 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.70 | 2.61 | -48.6 | 0 | 4 | -1 | 53 | 188.157 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.