| 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) | 4.91 | 11.82 | -49.62 | 2 | 6 | 1 | 67 | 457.55 | 5 | ↓ |
| Mid Mid (pH 6-8) | 4.91 | 10.16 | -44.74 | 0 | 6 | -1 | 69 | 455.534 | 5 | ↓ |
| Mid Mid (pH 6-8) | 4.91 | 12.38 | -32.82 | 1 | 6 | 0 | 70 | 456.542 | 5 | ↓ |
| Mid Mid (pH 6-8) | 4.91 | 9.56 | -10.94 | 1 | 6 | 0 | 66 | 456.542 | 5 | ↓ |
![2-benzal-7-[(4-phenylpiperazino)methyl]coumaran-3-one](http://zinc12.docking.org/img/rings/325152.gif)
