In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 9th, 2009 | 25 | No |
Popular Name: 1-[4-[3-(4-propoxyphenyl)-5-sulfanyl-1,2,4-triazol-4-yl]phenyl]ethanone 1-[4-[3-(4-propoxyphenyl)-5-sulf…
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) | 4.40 | 11.44 | -47.79 | 0 | 5 | -1 | 57 | 352.439 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.67 | 11.37 | -13.37 | 1 | 5 | 0 | 60 | 353.447 | 6 | ↓ |