| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 29th, 2010 | 16 | Yes |
Popular Name: 3-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl-ethyl-amino]propanenitrile 3-[(5-chloro-1,3-dimethyl-pyrazo…
| 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) | 0.98 | 4.68 | -8.63 | 0 | 4 | 0 | 45 | 240.738 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.98 | 6.66 | -47.92 | 1 | 4 | 1 | 46 | 241.746 | 5 | ↓ |
