| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2009 | 20 | Yes |
Popular Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-imidazol-2-yl]-2-methylpropan-1-amine 1-[4-(2,3-dihydro-1,4-benzodioxi…
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CAS Number: 1155459-46-3
| 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) | -0.18 | 3.93 | -56.19 | 4 | 5 | 1 | 75 | 274.344 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.18 | 4.26 | -7.82 | 3 | 5 | 0 | 73 | 273.336 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.18 | 3.61 | -11.57 | 3 | 5 | 0 | 73 | 273.336 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.18 | 4.05 | -32.68 | 4 | 5 | 1 | 74 | 274.344 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.18 | 4.49 | -119.43 | 5 | 5 | 2 | 76 | 275.352 | 3 | ↓ |
| 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.
