| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 21st, 2010 | 35 | No |
None
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) | 4.99 | 12.02 | -38.99 | 2 | 6 | 1 | 77 | 471.577 | 6 | ↓ |
| Hi High (pH 8-9.5) | 4.99 | 10.04 | -9.5 | 1 | 6 | 0 | 76 | 470.569 | 6 | ↓ |
| Mid Mid (pH 6-8) | 4.99 | 12.79 | -33.17 | 1 | 6 | 0 | 80 | 470.569 | 6 | ↓ |
![2-benzal-7-[[2-(3-pyridyl)piperidino]methyl]coumaran-3-one](http://zinc12.docking.org/img/rings/325143.gif)
