| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 18th, 2008 | 16 | Yes |
Popular Name: (2S)-2-methyl-3-[4-(2-methylpropanoyl)piperazin-1-yl]propanenitrile (2S)-2-methyl-3-[4-(2-methylprop…
| 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) | 1.21 | 4.6 | -12.02 | 0 | 4 | 0 | 47 | 223.32 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.21 | 6.59 | -56.94 | 1 | 4 | 1 | 49 | 224.328 | 3 | ↓ |
