| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 21st, 2010 | 31 | 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) | 3.25 | 8.47 | -36.32 | 2 | 7 | 1 | 84 | 418.473 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.25 | 8.92 | -47.26 | 0 | 7 | -1 | 86 | 416.457 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.25 | 9.22 | -54.83 | 1 | 7 | 0 | 87 | 417.465 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.25 | 8.15 | -12.12 | 1 | 7 | 0 | 83 | 417.465 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.25 | 10.38 | -44.98 | 2 | 7 | 1 | 84 | 418.473 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.25 | 10.69 | -102.03 | 3 | 7 | 2 | 85 | 419.481 | 4 | ↓ |
![2-(2-furfurylidene)-7-[[4-(2-pyridyl)piperazino]methyl]coumaran-3-one](http://zinc12.docking.org/img/rings/550339.gif)
