| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 29th, 2010 | 16 | No |
Popular Name: 3-[[4-(chloromethyl)-2,5-dimethyl-pyrazol-3-yl]-ethyl-amino]propanenitrile 3-[[4-(chloromethyl)-2,5-dimethy…
| 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) | 1.17 | 7.67 | -10.33 | 0 | 4 | 0 | 45 | 240.738 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.17 | 7.8 | -35.26 | 1 | 4 | 1 | 46 | 241.746 | 5 | ↓ |
