| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2004 | 27 | Yes |
Popular Name: [3-[4-(1,3-benzodioxol-5-yl)-5-(2-pyridyl)-1H-imidazol-2-yl]phenyl]amine [3-[4-(1,3-benzodioxol-5-yl)-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) | 3.19 | 7.28 | -11.43 | 3 | 6 | 0 | 86 | 356.385 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.19 | -2.46 | -91.42 | 5 | 6 | 2 | 88 | 358.401 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.19 | 7.69 | -31 | 4 | 6 | 1 | 87 | 357.393 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | WO2000061576A1 | IBM Patent Data |
