| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 21st, 2010 | 37 | 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) | 6.31 | 12.82 | -11.01 | 1 | 5 | 0 | 57 | 488.587 | 5 | ↓ |
| Mid Mid (pH 6-8) | 6.31 | 13.4 | -43.81 | 0 | 5 | -1 | 60 | 487.579 | 5 | ↓ |
| Mid Mid (pH 6-8) | 6.31 | 15.63 | -33.06 | 1 | 5 | 0 | 61 | 488.587 | 5 | ↓ |
| Mid Mid (pH 6-8) | 6.31 | 15.06 | -48.79 | 2 | 5 | 1 | 58 | 489.595 | 5 | ↓ |
![2-(4-phenylbenzylidene)-7-[(4-phenylpiperazino)methyl]coumaran-3-one](http://zinc12.docking.org/img/rings/550058.gif)
