| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 21st, 2009 | 17 | Yes |
Popular Name: 4-[[(3-methyl-1H-pyrazol-4-yl)methylamino]methyl]benzonitrile 4-[[(3-methyl-1H-pyrazol-4-yl)me…
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) | 1.18 | 4.3 | -9.56 | 2 | 4 | 0 | 65 | 226.283 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.18 | 4.34 | -9.49 | 2 | 4 | 0 | 65 | 226.283 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.18 | 5.71 | -57.32 | 3 | 4 | 1 | 69 | 227.291 | 4 | ↓ |
