In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 13th, 2008 | 16 | Yes |
Popular Name: [6-(4-ethylpiperazin-1-yl)pyridin-3-yl]methanamine [6-(4-ethylpiperazin-1-yl)pyridi…
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CAS Number: 889851-57-4
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) | 0.60 | 3.64 | -90.53 | 4 | 4 | 2 | 48 | 222.336 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.60 | 3.92 | -179.2 | 5 | 4 | 3 | 49 | 223.344 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.60 | 1.27 | -49.53 | 3 | 4 | 1 | 47 | 221.328 | 3 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |