In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 19th, 2011 | 18 | Yes |
Popular Name: (2S,6R)-2,6-dimethyl-1-[[(2S)-2-methyl-1-piperidyl]sulfonyl]piperazine (2S,6R)-2,6-dimethyl-1-[[(2S)-2-…
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) | 0.92 | 3.1 | -49.43 | 2 | 5 | 1 | 57 | 276.426 | 2 | ↓ |
Mid Mid (pH 6-8) | 0.92 | 1.82 | -7.14 | 1 | 5 | 0 | 53 | 275.418 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.