| 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) | 5.73 | 12.83 | -44.84 | 2 | 5 | 1 | 58 | 469.605 | 6 | ↓ |
| Hi High (pH 8-9.5) | 5.73 | 11.1 | -41.96 | 0 | 5 | -1 | 60 | 467.589 | 6 | ↓ |
| Mid Mid (pH 6-8) | 5.73 | 13.4 | -28.59 | 1 | 5 | 0 | 61 | 468.597 | 6 | ↓ |
| Mid Mid (pH 6-8) | 5.73 | 10.53 | -8.59 | 1 | 5 | 0 | 57 | 468.597 | 6 | ↓ |
| Mid Mid (pH 6-8) | 5.73 | 12.79 | -45.61 | 2 | 5 | 1 | 58 | 469.605 | 6 | ↓ |
![2-benzal-7-[(4-benzylpiperazino)methyl]coumaran-3-one](http://zinc12.docking.org/img/rings/325149.gif)
