| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 21st, 2010 | 39 | 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) | 4.23 | 10.53 | -49.85 | 2 | 8 | 1 | 86 | 531.629 | 8 | ↓ |
| Hi High (pH 8-9.5) | 4.23 | 8.79 | -43.31 | 0 | 8 | -1 | 87 | 529.613 | 8 | ↓ |
| Mid Mid (pH 6-8) | 4.23 | 10.48 | -49.77 | 2 | 8 | 1 | 86 | 531.629 | 8 | ↓ |
| Mid Mid (pH 6-8) | 4.23 | 11.11 | -30.18 | 1 | 8 | 0 | 89 | 530.621 | 8 | ↓ |
| Mid Mid (pH 6-8) | 4.23 | 8.23 | -12.81 | 1 | 8 | 0 | 85 | 530.621 | 8 | ↓ |
![2-benzal-7-[(4-benzylpiperazino)methyl]coumaran-3-one](http://zinc12.docking.org/img/rings/325149.gif)
