| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 20th, 2010 | 27 | Yes |
Popular Name: 4-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylsulfanyl-quinoline-3-carbonitrile 4-[4-(2-fluorophenyl)piperazin-1…
| 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) | 4.60 | 12.35 | -7.37 | 0 | 4 | 0 | 43 | 378.476 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 4.60 | 12.74 | -30.55 | 1 | 4 | 1 | 44 | 379.484 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
