| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 18th, 2008 | 16 | Yes |
Popular Name: [6-(4-methyl-1,4-diazepan-1-yl)pyridin-3-yl]methanamine [6-(4-methyl-1,4-diazepan-1-yl)p…
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CAS Number: 1042560-53-1
| 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) | 0.49 | 4.16 | -90.63 | 4 | 4 | 2 | 48 | 222.336 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.49 | 3.77 | -35.65 | 3 | 4 | 1 | 47 | 221.328 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.49 | 4.39 | -177.21 | 5 | 4 | 3 | 49 | 223.344 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
