| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2009 | 19 | Yes |
Popular Name: 1-[4-(2H-1,3-benzodioxol-5-yl)-1H-imidazol-2-yl]butan-1-amine dihydrochloride 1-[4-(2H-1,3-benzodioxol-5-yl)-1…
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CAS Numbers: 1153102-59-0 , 1311317-64-2
| 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) | 0.52 | 3.56 | -50.65 | 4 | 5 | 1 | 75 | 260.317 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.52 | 3.23 | -8.39 | 3 | 5 | 0 | 73 | 259.309 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.52 | 3.85 | -35.18 | 4 | 5 | 1 | 74 | 260.317 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.52 | 4.18 | -126.07 | 5 | 5 | 2 | 76 | 261.325 | 4 | ↓ |
| 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.
