| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 21st, 2010 | 33 | 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) | 4.80 | 9.86 | -10.65 | 1 | 5 | 0 | 57 | 448.469 | 4 | ↓ |
| Mid Mid (pH 6-8) | 4.80 | 10.62 | -44.02 | 0 | 5 | -1 | 60 | 447.461 | 4 | ↓ |
| Mid Mid (pH 6-8) | 4.80 | 12.07 | -45.05 | 2 | 5 | 1 | 58 | 449.477 | 4 | ↓ |
| Mid Mid (pH 6-8) | 4.80 | 12.84 | -26.77 | 1 | 5 | 0 | 61 | 448.469 | 4 | ↓ |
![2-benzal-7-[(4-phenylpiperazino)methyl]coumaran-3-one](http://zinc12.docking.org/img/rings/325152.gif)
