| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2005 | 16 | No |
Popular Name: 4-(1,3-Dimethyl-1 H -pyrazol-4-yl)-2,4-dioxo-butyric acid methyl ester 4-(1,3-Dimethyl-1 H -pyrazol-4-y…
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CAS Number: 1005591-81-0
4-(1,3-Dimethyl-1 H -pyrazol-4-yl)-2,4-dioxo-butyr
4-(1,3-Dimethyl-1H-pyrazol-4-yl)-2,4-dioxo-butyric acid methyl ester
| 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) | 0.11 | 4.61 | -48.73 | 0 | 6 | -1 | 84 | 223.208 | 4 | ↓ |
| Ref Reference (pH 7) | 0.55 | 4.81 | -47.22 | 0 | 6 | -1 | 84 | 223.208 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.64 | 4.89 | -19.03 | 0 | 6 | 0 | 78 | 224.216 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.