| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 18th, 2009 | 17 | Yes |
Popular Name: (2S)-2-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanenitrile (2S)-2-methyl-3-(4-pyrimidin-2-y…
| 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 | 5.08 | -10.02 | 0 | 5 | 0 | 56 | 231.303 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.18 | 7.11 | -50.6 | 1 | 5 | 1 | 57 | 232.311 | 3 | ↓ |
