| 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) | 5.32 | 12.76 | -47.84 | 2 | 5 | 1 | 58 | 441.551 | 4 | ↓ |
| Mid Mid (pH 6-8) | 5.32 | 10.57 | -8.79 | 1 | 5 | 0 | 57 | 440.543 | 4 | ↓ |
| Mid Mid (pH 6-8) | 5.32 | 11.34 | -42.54 | 0 | 5 | -1 | 60 | 439.535 | 4 | ↓ |
| Mid Mid (pH 6-8) | 5.32 | 13.52 | -28.86 | 1 | 5 | 0 | 61 | 440.543 | 4 | ↓ |
![2-benzal-7-[(4-phenylpiperazino)methyl]coumaran-3-one](http://zinc12.docking.org/img/rings/325152.gif)
