| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 18th, 2009 | 28 | Yes |
Popular Name: 3-[4-(1,3-benzodioxol-5-yl)-5-(2-pyridyl)-1H-imidazol-2-yl]benzonitrile 3-[4-(1,3-benzodioxol-5-yl)-5-(2…
| 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) | 3.86 | 9.78 | -14.57 | 1 | 6 | 0 | 84 | 366.38 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.86 | 9.89 | -17.79 | 1 | 6 | 0 | 84 | 366.38 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.86 | 10.19 | -40.49 | 2 | 6 | 1 | 85 | 367.388 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | WO2000061576A1 | IBM Patent Data |
