| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2008 | 14 | No |
Popular Name: (1-isobutyl-5-oxo-2,5-dihydro-1H-pyrazol-3-yl)acetic acid (1-isobutyl-5-oxo-2,5-dihydro-1H…
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CAS Number: 852851-73-1
| 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) | 0.35 | 4.8 | -45.83 | 0 | 5 | -1 | 73 | 197.214 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.08 | 3.52 | -110.3 | 0 | 5 | -2 | 81 | 196.206 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 164 - 166 | Enamine Building Blocks |
| MP | 164...166 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
