| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 8th, 2011 | 25 | No |
Popular Name: 1-[[1-(4-methylpiperazin-1-yl)cycloheptyl]methyl]-3-(4H-pyrazol-3-ylmethyl)urea 1-[[1-(4-methylpiperazin-1-yl)cy…
| 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) | 2.06 | 4.39 | -44.44 | 3 | 7 | 1 | 74 | 349.503 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.06 | 2.01 | -11.6 | 2 | 7 | 0 | 72 | 348.495 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![1-[(1-piperazinocycloheptyl)methyl]-3-(4H-pyrazol-3-ylmethyl)urea](http://zinc12.docking.org/img/rings/358099.gif)