| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 2nd, 2015 | 18 | Yes |
Popular Name: 3-(5-oxo-3-propyl-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid 3-(5-oxo-3-propyl-4,5-dihydro-1H…
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CAS Number: 701221-57-0
| 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) | 2.50 | 7.03 | -69.37 | 1 | 5 | -1 | 78 | 245.258 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.96 | 5.11 | -54.11 | 1 | 5 | -1 | 78 | 245.258 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95% | Fluorochem |
No pre-computed analogs available. Try a structural similarity search.