| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 13th, 2009 | 30 | Yes |
Popular Name: 1-[2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethylsulfanyl]-[1,2,4]triazolo[4,3-a]quinoline 1-[2-[4-(2,4-difluorophenyl)pipe…
| 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) | 4.59 | 12.27 | -14.8 | 0 | 5 | 0 | 37 | 425.508 | 5 | ↓ |
| Mid Mid (pH 6-8) | 4.59 | 14.48 | -48.05 | 1 | 5 | 1 | 38 | 426.516 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US4886805 | IBM Patent Data |
