| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 21st, 2010 | 36 | 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) | 4.99 | 11.02 | -46.97 | 2 | 7 | 1 | 77 | 487.576 | 6 | ↓ |
| Hi High (pH 8-9.5) | 4.99 | 9.36 | -46.8 | 0 | 7 | -1 | 78 | 485.56 | 6 | ↓ |
| Mid Mid (pH 6-8) | 4.99 | 8.78 | -12.28 | 1 | 7 | 0 | 75 | 486.568 | 6 | ↓ |
| Mid Mid (pH 6-8) | 4.99 | 11.58 | -30.81 | 1 | 7 | 0 | 79 | 486.568 | 6 | ↓ |
![2-benzal-7-[(4-phenylpiperazino)methyl]coumaran-3-one](http://zinc12.docking.org/img/rings/325152.gif)
