| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 9th, 2010 | 16 | Yes |
Popular Name: 2,2-Dimethyl-4-(4-methylphenyl)-4-oxobutyric acid 2,2-Dimethyl-4-(4-methylphenyl)-…
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CAS Number: 71821-98-2
| 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) | 2.58 | 8.26 | -45.58 | 0 | 3 | -1 | 57 | 219.26 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.58 | 6.29 | -6.15 | 1 | 3 | 0 | 54 | 220.268 | 4 | ↓ |
