| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2004 | 29 | Yes |
Popular Name: 4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2-pyridyl)-1H-imidazol-2-yl]benzonitrile 4-[4-(2,3-dihydro-1,4-benzodioxi…
| 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) | 3.50 | 10.4 | -16.08 | 1 | 6 | 0 | 84 | 380.407 | 3 | ↓ |
| Mid Mid (pH 6-8) | 4.00 | 0.85 | -42.07 | 2 | 6 | 1 | 85 | 381.415 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 3.50 | 10.68 | -41 | 2 | 6 | 1 | 85 | 381.415 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.50 | 10.7 | -41.15 | 2 | 6 | 1 | 85 | 381.415 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | WO2000061576A1 | IBM Patent Data |
