In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 19th, 2011 | 17 | Yes |
Popular Name: (2R,6R)-2,6-dimethyl-1-(2-phenylsulfanylethyl)piperazine (2R,6R)-2,6-dimethyl-1-(2-phenyl…
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) | 2.36 | 5.91 | -40.61 | 2 | 2 | 1 | 20 | 251.419 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.36 | 4.75 | -2.88 | 1 | 2 | 0 | 15 | 250.411 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.