| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 22nd, 2008 | 20 | Yes |
Popular Name: [2-(4-methyl-1,4-diazepan-1-yl)quinolin-3-yl]methanol [2-(4-methyl-1,4-diazepan-1-yl)q…
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CAS Number: 1038979-02-0
| 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) | 1.81 | 5.69 | -38.91 | 2 | 4 | 1 | 41 | 272.372 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.81 | 3.65 | -8.78 | 1 | 4 | 0 | 40 | 271.364 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.81 | 6.1 | -90.76 | 3 | 4 | 2 | 42 | 273.38 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| MP | 95 - 97 | Enamine Building Blocks |
| MP | 95...97 | Enamine Building Blocks |
