In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 19th, 2011 | 18 | Yes |
Popular Name: (2R,6R)-1-[2-(2-fluorophenyl)sulfanylethyl]-2,6-dimethyl-piperazine (2R,6R)-1-[2-(2-fluorophenyl)sul…
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) | 2.47 | 5.96 | -43.45 | 2 | 2 | 1 | 20 | 269.409 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.47 | 4.8 | -4.81 | 1 | 2 | 0 | 15 | 268.401 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.