| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 21st, 2010 | 34 | 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) | 4.05 | 9.03 | -36.08 | 2 | 7 | 1 | 80 | 458.538 | 5 | ↓ |
| Hi High (pH 8-9.5) | 4.05 | 9.46 | -44.8 | 0 | 7 | -1 | 82 | 456.522 | 5 | ↓ |
| Mid Mid (pH 6-8) | 4.05 | 9.8 | -52.5 | 1 | 7 | 0 | 83 | 457.53 | 5 | ↓ |
| Mid Mid (pH 6-8) | 4.05 | 8.69 | -10.83 | 1 | 7 | 0 | 79 | 457.53 | 5 | ↓ |
| Mid Mid (pH 6-8) | 4.05 | 10.88 | -49.49 | 2 | 7 | 1 | 80 | 458.538 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 4.05 | 11.22 | -108.78 | 3 | 7 | 2 | 81 | 459.546 | 5 | ↓ |
![2-benzal-7-[[4-(2-pyridyl)piperazino]methyl]coumaran-3-one](http://zinc12.docking.org/img/rings/550326.gif)
