| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 10th, 2008 | 17 | Yes |
Popular Name: 5,7-dimethoxy-4-oxo-1,4-dihydroquinoline-3-carbonitrile 5,7-dimethoxy-4-oxo-1,4-dihydroq…
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CAS Number: 331662-65-8
| 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) | 1.38 | 4.07 | -14.18 | 0 | 5 | 0 | 72 | 230.223 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.71 | 4.19 | -37.65 | 0 | 5 | -1 | 78 | 229.215 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.25 | 4.58 | -22.57 | 1 | 5 | 0 | 75 | 230.223 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
No pre-computed analogs available. Try a structural similarity search.