| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 21st, 2009 | 16 | Yes |
Popular Name: 2-(4-methylphenyl)-1-(pyridin-3-yl)ethan-1-amine 2-(4-methylphenyl)-1-(pyridin-3-…
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CAS Number: 1178359-58-4
| 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) | 0.44 | 5.95 | -45.53 | 3 | 2 | 1 | 41 | 213.304 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.44 | 5.65 | -4.81 | 2 | 2 | 0 | 39 | 212.296 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.44 | 6.42 | -108.77 | 4 | 2 | 2 | 42 | 214.312 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
