| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 24th, 2010 | 13 | Yes |
Popular Name: 2-(3,4,5-Trimethyl-1H-pyrazol-1-yl)propanoic acid 2-(3,4,5-Trimethyl-1H-pyrazol-1-…
Find On: PubMed — Wikipedia — Google
CAS Numbers: , 1217862-30-0
| 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) | 0.82 | 5.6 | -51.1 | 0 | 4 | -1 | 58 | 181.215 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 0.82 | 5.72 | -31.86 | 1 | 4 | 0 | 59 | 182.223 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.