| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2009 | 20 | Yes |
Popular Name: 1-[4-(2H-1,3-benzodioxol-5-yl)-1H-imidazol-2-yl]-3-methylbutan-1-amine dihydrochloride 1-[4-(2H-1,3-benzodioxol-5-yl)-1…
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CAS Numbers: 1155460-49-3 , 1311314-92-7
| 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) | 0.74 | 4.35 | -58.84 | 4 | 5 | 1 | 75 | 274.344 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.74 | 3.98 | -7.91 | 3 | 5 | 0 | 73 | 273.336 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.74 | 4.37 | -35.32 | 4 | 5 | 1 | 74 | 274.344 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.74 | 4.64 | -127.56 | 5 | 5 | 2 | 76 | 275.352 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
