| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 21st, 2010 | 31 | No |
Popular Name: (2Z)-2-benzylidene-6-hydroxy-7-[[4-(2-pyridyl)piperazin-1-yl]methyl]benzofuran-3-one (2Z)-2-benzylidene-6-hydroxy-7-[…
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| 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) | 3.62 | 9.07 | -34.57 | 2 | 6 | 1 | 71 | 414.485 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.62 | 9.49 | -43.51 | 0 | 6 | -1 | 73 | 412.469 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.62 | 11.27 | -105.31 | 3 | 6 | 2 | 72 | 415.493 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.62 | 8.73 | -10.1 | 1 | 6 | 0 | 70 | 413.477 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.62 | 10.93 | -47.4 | 2 | 6 | 1 | 71 | 414.485 | 4 | ↓ |
![2-benzal-7-[[4-(2-pyridyl)piperazino]methyl]coumaran-3-one](http://zinc12.docking.org/img/rings/550326.gif)
