| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 19th, 2008 | 25 | Yes |
Popular Name: (3,6-dimethylisoxazolo[5,4-b]pyridin-4-yl)-[4-(2-thienylmethyl)piperazin-1-yl]methanone (3,6-dimethylisoxazolo[5,4-b]pyr…
| 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) | 1.58 | 4.47 | -13.32 | 0 | 6 | 0 | 62 | 356.451 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.58 | 6.73 | -59.96 | 1 | 6 | 1 | 64 | 357.459 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![Isoxazolo[5,4-b]pyridine](http://zinc12.docking.org/img/rings/7243.gif)
![Isoxazolo[5,4-b]pyridin-4-yl-[4-(2-thenyl)piperazino]methanone](http://zinc12.docking.org/img/rings/104623.gif)