| 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) | 4.71 | 11.61 | -49.07 | 2 | 5 | 1 | 58 | 459.541 | 5 | ↓ |
| Hi High (pH 8-9.5) | 4.71 | 9.89 | -41.81 | 0 | 5 | -1 | 60 | 457.525 | 5 | ↓ |
| Mid Mid (pH 6-8) | 4.71 | 11.57 | -48.67 | 2 | 5 | 1 | 58 | 459.541 | 5 | ↓ |
| Mid Mid (pH 6-8) | 4.71 | 12.18 | -31.84 | 1 | 5 | 0 | 61 | 458.533 | 5 | ↓ |
| Mid Mid (pH 6-8) | 4.71 | 9.32 | -9.36 | 1 | 5 | 0 | 57 | 458.533 | 5 | ↓ |
![2-benzal-7-[(4-benzylpiperazino)methyl]coumaran-3-one](http://zinc12.docking.org/img/rings/325149.gif)
