| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 27th, 2010 | 21 | Yes |
Popular Name: (2S,4S)-4-methyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]cyclohexanone (2S,4S)-4-methyl-2-[(4-pyrimidin…
| 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) | 1.60 | 10.44 | -42.66 | 1 | 5 | 1 | 51 | 289.403 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.60 | 8.43 | -10.39 | 0 | 5 | 0 | 49 | 288.395 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![2-[[4-(2-pyrimidyl)piperazino]methyl]cyclohexanone](http://zinc12.docking.org/img/rings/115592.gif)