In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 24th, 2004 | 17 | Yes |
Popular Name: 2,2-Dimethyl-4-(4-methoxyphenyl)-4-oxobutyric acid 2,2-Dimethyl-4-(4-methoxyphenyl)…
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CAS Numbers: 15118-48-6 , [15118-48-6]
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) | 2.19 | 6.91 | -46.23 | 0 | 4 | -1 | 66 | 235.259 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.19 | 4.92 | -6.96 | 1 | 4 | 0 | 64 | 236.267 | 5 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
MP | 165 - 167 | Enamine Building Blocks |
MP | 166 - 168 | Enamine Building Blocks |
MP | 166...168 | Enamine Building Blocks |
purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |