| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2009 | 22 | Yes |
Popular Name: 1-[2-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]piperidine 1-[2-[[5-(4-fluorophenyl)-4-meth…
| 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) | 3.60 | 11.36 | -42.39 | 1 | 4 | 1 | 35 | 321.445 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.60 | 9.15 | -9.7 | 0 | 4 | 0 | 34 | 320.437 | 5 | ↓ |
