| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 31st, 2009 | 29 | Yes |
Popular Name: (2S)-1-cyclohexyl-2-phenyl-4-[4-(2-pyridyl)piperazin-1-yl]butan-1-one (2S)-1-cyclohexyl-2-phenyl-4-[4-…
| 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) | 4.83 | 13.13 | -30.84 | 1 | 4 | 1 | 38 | 392.567 | 7 | ↓ |
| Mid Mid (pH 6-8) | 4.83 | 15.04 | -43.15 | 1 | 4 | 1 | 38 | 392.567 | 7 | ↓ |
| Mid Mid (pH 6-8) | 4.83 | 12.81 | -8.67 | 0 | 4 | 0 | 36 | 391.559 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 4.83 | 15.35 | -95.55 | 2 | 4 | 2 | 39 | 393.575 | 7 | ↓ |
