In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 11th, 2011 | 22 | Yes |
Popular Name: 1-[4-[[5-(2-fluorophenyl)-2-thienyl]methyl]piperazin-1-yl]ethanone 1-[4-[[5-(2-fluorophenyl)-2-thie…
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) | 2.93 | 7.92 | -11.56 | 0 | 3 | 0 | 24 | 318.417 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.93 | 10.2 | -48.62 | 1 | 3 | 1 | 25 | 319.425 | 3 | ↓ |