| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 7th, 2006 | 13 | No |
Popular Name: 3-methyl-1-phenyl-1H-pyrazole-5-thiol 3-methyl-1-phenyl-1H-pyrazole-5-…
Find On: PubMed — Wikipedia — Google
CAS Number: 1131-19-7
| 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) | 2.40 | 6.09 | -6.48 | 0 | 2 | 0 | 18 | 190.271 | 1 | ↓ |
| Hi High (pH 8-9.5) | 2.40 | 6.62 | -44.78 | 0 | 2 | -1 | 18 | 189.263 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks |
| PUBCHEM_PATENT_ID | US4223135; US4316016; US4316017 | IBM Patent Data |
