| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 13th, 2005 | 28 | No |
Popular Name: amino-[4-[4-(4-fluorophenyl)-5-(4-pyridyl)-1H-imidazol-2-yl]phenyl]-methanone amino-[4-[4-(4-fluorophenyl)-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) | 2.71 | 6.93 | -41.25 | 5 | 6 | 1 | 99 | 374.399 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.71 | 6.84 | -41.7 | 5 | 6 | 1 | 99 | 374.399 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.58 | 7.29 | -40.34 | 5 | 6 | 1 | 101 | 374.399 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.71 | 7.37 | -93.09 | 6 | 6 | 2 | 101 | 375.407 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0889887A1; EP0906099A1; EP0934270A1; US5656644; WO1995003297A1; WO1997035855A1; WO1997036587A1; WO1997045412A1 | IBM Patent Data |
