| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 31st, 2009 | 20 | Yes |
Popular Name: (3S)-3-[[4-(2-pyridyl)piperazin-1-yl]methyl]cyclohexanone (3S)-3-[[4-(2-pyridyl)piperazin-…
| 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) | 1.75 | 9.28 | -47.26 | 1 | 4 | 1 | 38 | 274.388 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.75 | 7.34 | -9.57 | 0 | 4 | 0 | 36 | 273.38 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.75 | 7.65 | -32.14 | 1 | 4 | 1 | 38 | 274.388 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.75 | 9.62 | -100.51 | 2 | 4 | 2 | 39 | 275.396 | 3 | ↓ |
