| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 18th, 2009 | 18 | Yes |
Popular Name: (2S)-3-(4-benzylpiperazin-1-yl)-2-methyl-propanenitrile (2S)-3-(4-benzylpiperazin-1-yl)-…
| 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) | 2.16 | 7.88 | -43.91 | 1 | 3 | 1 | 31 | 244.362 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.16 | 5.5 | -5.68 | 0 | 3 | 0 | 30 | 243.354 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.16 | 7.6 | -46.88 | 1 | 3 | 1 | 31 | 244.362 | 4 | ↓ |
