| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 21st, 2010 | 35 | 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) | 4.18 | 11.32 | -46.68 | 2 | 8 | 1 | 104 | 472.521 | 6 | ↓ |
| Hi High (pH 8-9.5) | 4.18 | 9.83 | -42.26 | 0 | 8 | -1 | 106 | 470.505 | 6 | ↓ |
| Mid Mid (pH 6-8) | 4.18 | 12.04 | -30.58 | 1 | 8 | 0 | 107 | 471.513 | 6 | ↓ |
| Mid Mid (pH 6-8) | 4.18 | 9.07 | -11.52 | 1 | 8 | 0 | 103 | 471.513 | 6 | ↓ |
| Mid Mid (pH 6-8) | 4.18 | 11.28 | -51.67 | 2 | 8 | 1 | 104 | 472.521 | 6 | ↓ |
![2-benzal-7-[(4-benzylpiperazino)methyl]coumaran-3-one](http://zinc12.docking.org/img/rings/325149.gif)
