| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 28th, 2008 | 16 | No |
Popular Name: 2-[(3S)-3-methyl-3-phenyl-piperazin-1-yl]acetonitrile 2-[(3S)-3-methyl-3-phenyl-pipera…
| 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) | 1.80 | 3.66 | -6.69 | 1 | 3 | 0 | 39 | 215.3 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.80 | 4.72 | -45.58 | 2 | 3 | 1 | 44 | 216.308 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.80 | 5.71 | -49.83 | 2 | 3 | 1 | 40 | 216.308 | 2 | ↓ |
