| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 21st, 2010 | 34 | 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) | 5.05 | 12.24 | -44.24 | 2 | 5 | 1 | 58 | 455.578 | 5 | ↓ |
| Hi High (pH 8-9.5) | 5.05 | 10.51 | -43.28 | 0 | 5 | -1 | 60 | 453.562 | 5 | ↓ |
| Mid Mid (pH 6-8) | 5.05 | 12.2 | -45.35 | 2 | 5 | 1 | 58 | 455.578 | 5 | ↓ |
| Mid Mid (pH 6-8) | 5.05 | 12.81 | -28.45 | 1 | 5 | 0 | 61 | 454.57 | 5 | ↓ |
| Mid Mid (pH 6-8) | 5.05 | 9.95 | -8.96 | 1 | 5 | 0 | 57 | 454.57 | 5 | ↓ |
![2-benzal-7-[(4-benzylpiperazino)methyl]coumaran-3-one](http://zinc12.docking.org/img/rings/325149.gif)
