| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 20th, 2011 | 23 | Yes |
Popular Name: 3,4-dimethyl-6-[[methyl(phenethyl)amino]methyl]isoxazolo[3,4-d]pyridazin-7-one 3,4-dimethyl-6-[[methyl(phenethy…
| 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) | 2.10 | 8.62 | -44.28 | 1 | 6 | 1 | 65 | 313.381 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.10 | 6.14 | -15.92 | 0 | 6 | 0 | 64 | 312.373 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![6H-isoxazolo[3,4-d]pyridazin-7-one](http://zinc12.docking.org/img/rings/88262.gif)
![6-[(phenethylamino)methyl]isoxazolo[3,4-d]pyridazin-7-one](http://zinc12.docking.org/img/rings/426940.gif)