| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 6th, 2011 | 14 | No |
Popular Name: 1,3,5-trimethyl-pyrazole-3,5-dicarboxylate 1,3,5-trimethyl-pyrazole-3,5-dic…
Find On: PubMed — Wikipedia — Google
CAS Number: 33146-99-5
| 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) | -4.31 | 3.89 | -54.73 | 2 | 6 | -1 | 97 | 201.202 | 2 | ↓ |
| Hi High (pH 8-9.5) | -4.31 | 2.96 | -55.41 | 2 | 6 | -1 | 100 | 201.202 | 2 | ↓ |
| Hi High (pH 8-9.5) | -4.31 | 2.6 | -100.21 | 1 | 6 | -2 | 96 | 200.194 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.