| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 19th, 2011 | 22 | Yes |
Popular Name: 1-[4-[[(3-methyl-1H-pyrazol-4-yl)methylamino]methyl]phenyl]piperidin-2-one 1-[4-[[(3-methyl-1H-pyrazol-4-yl…
None
| 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) | 1.09 | 7.14 | -52.77 | 3 | 5 | 1 | 66 | 299.398 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.09 | 5.8 | -13.12 | 2 | 5 | 0 | 61 | 298.39 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![1-[4-[(1H-pyrazol-4-ylmethylamino)methyl]phenyl]-2-piperidone](http://zinc12.docking.org/img/rings/424023.gif)