In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 19th, 2011 | 18 | Yes |
Popular Name: (2S,6R)-1-[(5-fluoro-3-pyridyl)sulfonyl]-2,6-dimethyl-piperazine (2S,6R)-1-[(5-fluoro-3-pyridyl)s…
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) | 0.44 | 1.72 | -50.89 | 2 | 5 | 1 | 67 | 274.341 | 2 | ↓ |
Mid Mid (pH 6-8) | 0.44 | 0.37 | -6.6 | 1 | 5 | 0 | 62 | 273.333 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.