| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 29th, 2010 | 15 | Yes |
Popular Name: (2S)-3-(4-tert-butylpiperazin-1-yl)-2-methyl-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) | 1.95 | 5.69 | -37.12 | 1 | 3 | 1 | 31 | 210.345 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.95 | 3.57 | -4.57 | 0 | 3 | 0 | 30 | 209.337 | 3 | ↓ |
