| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2010 | 16 | Yes |
Popular Name: (2S)-3-(4-tert-butylpiperazin-1-yl)-2-methyl-3-oxo-propanenitrile (2S)-3-(4-tert-butylpiperazin-1-…
| 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) | 1.27 | 3.71 | -9.09 | 0 | 4 | 0 | 47 | 223.32 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.27 | 5.77 | -42.19 | 1 | 4 | 1 | 49 | 224.328 | 2 | ↓ |
