| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 7th, 2006 | 13 | Yes |
Popular Name: 3-(4-ethyl-3-methyl-5-oxo-2H-pyrazol-1-yl)propanenitrile 3-(4-ethyl-3-methyl-5-oxo-2H-pyr…
| 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) | 0.36 | 4.21 | -16.78 | 1 | 4 | 0 | 62 | 179.223 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.81 | 3 | -40.23 | 0 | 4 | -1 | 65 | 178.215 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.81 | 2.25 | -8.5 | 1 | 4 | 0 | 62 | 179.223 | 3 | ↓ |
