| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 1st, 2006 | 26 | Yes |
Popular Name: [4-[4-(4-fluorophenyl)-5-(4-pyridyl)-3H-imidazol-2-yl]phenyl]methanamine [4-[4-(4-fluorophenyl)-5-(4-pyri…
| 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) | 3.45 | -2.61 | -55.47 | 4 | 4 | 1 | 69 | 345.401 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.45 | -2.41 | -99.41 | 5 | 4 | 2 | 70 | 346.409 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.45 | -2.5 | -90.03 | 5 | 4 | 2 | 70 | 346.409 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.45 | -2.3 | -164.48 | 6 | 4 | 3 | 71 | 347.417 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0889887A1; US5656644; US5686455; US5916891; WO1997035855A1 | IBM Patent Data |
