| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2011 | 18 | Yes |
Popular Name: 3-(3-chlorophenyl)-6-methyl-2H-isoxazolo[5,4-d]pyrimidin-4-one 3-(3-chlorophenyl)-6-methyl-2H-i…
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) | 1.98 | 3.49 | -12.96 | 1 | 5 | 0 | 72 | 261.668 | 1 | ↓ |
| Hi High (pH 8-9.5) | 2.44 | 1.64 | -38.46 | 0 | 5 | -1 | 75 | 260.66 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![2H-isoxazolo[5,4-d]pyrimidin-4-one](http://zinc12.docking.org/img/rings/367428.gif)
![3-phenyl-2H-isoxazolo[5,4-d]pyrimidin-4-one](http://zinc12.docking.org/img/rings/367426.gif)