| 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) | 4.53 | 12.28 | -56.62 | 2 | 8 | 1 | 104 | 486.548 | 6 | ↓ |
| Hi High (pH 8-9.5) | 4.53 | 10.55 | -40.33 | 0 | 8 | -1 | 106 | 484.532 | 6 | ↓ |
| Mid Mid (pH 6-8) | 4.53 | 12.24 | -53.61 | 2 | 8 | 1 | 104 | 486.548 | 6 | ↓ |
| Mid Mid (pH 6-8) | 4.53 | 12.85 | -36.21 | 1 | 8 | 0 | 107 | 485.54 | 6 | ↓ |
| Mid Mid (pH 6-8) | 4.53 | 9.99 | -11.03 | 1 | 8 | 0 | 103 | 485.54 | 6 | ↓ |
![2-benzal-7-[(4-benzylpiperazino)methyl]coumaran-3-one](http://zinc12.docking.org/img/rings/325149.gif)
