In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 19th, 2011 | 18 | Yes |
Popular Name: (2S,6S)-2,6-dimethyl-1-[2-(p-tolylsulfanyl)ethyl]piperazine (2S,6S)-2,6-dimethyl-1-[2-(p-tol…
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) | 2.81 | 6.59 | -40.52 | 2 | 2 | 1 | 20 | 265.446 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.81 | 5.42 | -2.85 | 1 | 2 | 0 | 15 | 264.438 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.