| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 1st, 2009 | 12 | No |
Popular Name: (2E)-3-(3,5-Dimethyl-1H-pyrazol-4-yl)acrylic acid (2E)-3-(3,5-Dimethyl-1H-pyrazol-…
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CAS Numbers: 884048-51-5 , [884048-51-5]
| 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) | 0.48 | 4.06 | -48.95 | 1 | 4 | -1 | 69 | 165.172 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.