| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 12th, 2011 | 14 | Yes |
Popular Name: 1H-Benzimidazole, 2-(1H-pyrazol-4-yl)- (9CI) 1H-Benzimidazole, 2-(1H-pyrazol-…
Find On: PubMed — Wikipedia — Google
CAS Number: 57964-55-3
| 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) | 1.86 | 3.5 | -9.6 | 2 | 4 | 0 | 57 | 184.202 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 1.86 | 3.95 | -30.36 | 3 | 4 | 1 | 59 | 185.21 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0067718A1; US4443246 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.
