| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2004 | 10 | No |
Popular Name: 5-methyl-2-(propan-2-yl)-2,4-dihydro-3H-pyrazol-3-one 5-methyl-2-(propan-2-yl)-2,4-dih…
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CAS Number: 934-41-8
| 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) | 0.76 | 3.34 | -8.6 | 0 | 3 | 0 | 33 | 140.186 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.25 | 1.89 | -45.68 | 0 | 3 | -1 | 41 | 139.178 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.25 | 1.12 | -6.17 | 1 | 3 | 0 | 38 | 140.186 | 1 | ↓ |
