In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 27th, 2011 | 25 | Yes |
Popular Name: 2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N-[(4-isopropoxyphenyl)methyl]acetamide 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) | 2.61 | 4.18 | -11.2 | 1 | 5 | 0 | 45 | 355.429 | 8 | ↓ |
Lo Low (pH 4.5-6) | 2.61 | 6.35 | -38.9 | 2 | 5 | 1 | 46 | 356.437 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.