| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 2nd, 2012 | 21 | Yes |
Popular Name: Benzyl 3-oxo-2,3,7,8-tetrahydropyrido[4,3-c]pyridazine-6(5H)-carboxylate Benzyl 3-oxo-2,3,7,8-tetrahydrop…
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CAS Number: 1354963-19-1
| 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) | 1.53 | 5.11 | -11.59 | 1 | 6 | 0 | 75 | 285.303 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.98 | 3.24 | -48.27 | 0 | 6 | -1 | 78 | 284.295 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 175 - 177 | Enamine Building Blocks |
| MP | 175...177 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
No pre-computed analogs available. Try a structural similarity search.
![5,6,7,8-tetrahydro-2H-pyrido[4,3-c]pyridazin-3-one](http://zinc12.docking.org/img/rings/76056.gif)
![3-keto-2,5,7,8-tetrahydropyrido[4,3-c]pyridazine-6-carboxylic Acid Benzyl Ester](http://zinc12.docking.org/img/rings/76055.gif)