| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 23rd, 2011 | 21 | Yes |
Popular Name: (2S)-2-[[4-(pyrrolidin-1-ylmethyl)-1-piperidyl]methyl]cycloheptanone (2S)-2-[[4-(pyrrolidin-1-ylmethy…
| 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) | 3.01 | 11.41 | -96.13 | 2 | 3 | 2 | 26 | 294.483 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.01 | 9.47 | -37.77 | 1 | 3 | 1 | 25 | 293.475 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![2-[[4-(pyrrolidinomethyl)piperidino]methyl]cycloheptanone](http://zinc12.docking.org/img/rings/16091.gif)