| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 30th, 2008 | 33 | Yes |
| 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) | 3.64 | 4.19 | -40.01 | 4 | 8 | 1 | 103 | 471.965 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.64 | 1.81 | -10.32 | 3 | 8 | 0 | 102 | 470.957 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.64 | 2.59 | -40.78 | 2 | 8 | -1 | 105 | 469.949 | 6 | ↓ |
![5-phenyl-4-[3-(piperazinomethyl)phenyl]isoxazole](http://zinc12.docking.org/img/rings/139200.gif)
