| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 27th, 2010 | 21 | Yes |
Popular Name: (2S,4R)-4-methyl-2-[[4-(2-pyridyl)piperazin-1-yl]methyl]cyclohexanone (2S,4R)-4-methyl-2-[[4-(2-pyridy…
| 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) | 1.99 | 8.27 | -31.92 | 1 | 4 | 1 | 38 | 288.415 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.99 | 7.95 | -8.4 | 0 | 4 | 0 | 36 | 287.407 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.99 | 9.92 | -43.16 | 1 | 4 | 1 | 38 | 288.415 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.99 | 10.25 | -98.22 | 2 | 4 | 2 | 39 | 289.423 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![2-[[4-(2-pyridyl)piperazino]methyl]cyclohexanone](http://zinc12.docking.org/img/rings/115558.gif)