In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 19th, 2011 | 21 | Yes |
Popular Name: (2S,6R)-2,6-dimethyl-1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]piperazine (2S,6R)-2,6-dimethyl-1-[2-[3-(tr…
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) | 3.23 | 6.73 | -45.57 | 2 | 2 | 1 | 20 | 319.416 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.23 | 5.39 | -3.23 | 1 | 2 | 0 | 15 | 318.408 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.