| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 30th, 2008 | 33 | Yes |
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) | 3.66 | 4.2 | -40.65 | 4 | 8 | 1 | 103 | 471.965 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.66 | 4.87 | -48.8 | 4 | 8 | 1 | 103 | 471.965 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.66 | 2.48 | -18.67 | 3 | 8 | 0 | 102 | 470.957 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.21 | 6.69 | -92.41 | 3 | 8 | 0 | 106 | 470.957 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.21 | 4.44 | -69.97 | 2 | 8 | -1 | 105 | 469.949 | 5 | ↓ |
![5-phenyl-4-[4-(piperazinomethyl)phenyl]isoxazole](http://zinc12.docking.org/img/rings/139199.gif)
