| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 26th, 2010 | 20 | Yes |
Popular Name: 3-[4-[(isopropylamino)methyl]-5-phenyl-pyrazol-1-yl]propanenitrile 3-[4-[(isopropylamino)methyl]-5-…
| 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) | 1.68 | 8.06 | -41.41 | 2 | 4 | 1 | 58 | 269.372 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.68 | 7.79 | -6.5 | 1 | 4 | 0 | 54 | 268.364 | 6 | ↓ |
