| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 22nd, 2011 | 24 | Yes |
Popular Name: 6-[[(3-chlorophenyl)methyl-ethyl-amino]methyl]-3,4-dimethyl-isoxazolo[3,4-d]pyridazin-7-one 6-[[(3-chlorophenyl)methyl-ethyl…
| 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) | 2.72 | 8.88 | -41.23 | 1 | 6 | 1 | 65 | 347.826 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.72 | 6.75 | -15.99 | 0 | 6 | 0 | 64 | 346.818 | 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-[(benzylamino)methyl]isoxazolo[3,4-d]pyridazin-7-one](http://zinc12.docking.org/img/rings/167420.gif)