In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 9th, 2010 | 11 | No |
Popular Name: 7,8-dihydro-2H-thiopyrano[4,3-c]pyridazin-3(5H)-one 7,8-dihydro-2H-thiopyrano[4,3-c]…
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CAS Numbers: , 1269531-18-1
2H,3H,5H,7H,8H-thiopyrano[4,3-c]pyridazin-3-one
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) | 1.23 | 0.32 | -45.41 | 0 | 3 | -1 | 49 | 167.213 | 0 | ↓ |
Mid Mid (pH 6-8) | 0.77 | 2.18 | -7.87 | 1 | 3 | 0 | 46 | 168.221 | 0 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
Purity | 95% | Fluorochem |
No pre-computed analogs available. Try a structural similarity search.