In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 27th, 2011 | 23 | Yes |
Popular Name: 2-[4-(2,2-difluoroethyl)piperazin-1-yl]-1-(4-methylsulfonylpiperazin-1-yl)ethanone 2-[4-(2,2-difluoroethyl)piperazi…
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) | -0.58 | -0.13 | -19.48 | 0 | 7 | 0 | 64 | 354.423 | 5 | ↓ |
Lo Low (pH 4.5-6) | -0.58 | 2.01 | -47.37 | 1 | 7 | 1 | 65 | 355.431 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.