| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 29th, 2010 | 16 | No |
Popular Name: (2S)-3-[[4-(chloromethyl)-2,5-dimethyl-pyrazol-3-yl]-methyl-amino]-2-methyl-propanenitrile (2S)-3-[[4-(chloromethyl)-2,5-di…
| 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) | 1.87 | 6.93 | -34.74 | 1 | 4 | 1 | 46 | 241.746 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.87 | 6.8 | -9.3 | 0 | 4 | 0 | 45 | 240.738 | 4 | ↓ |
