In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 19th, 2011 | 19 | Yes |
Popular Name: (2S,6R)-1-[[(3S,5S)-3,5-dimethyl-1-piperidyl]sulfonyl]-2,6-dimethyl-piperazine (2S,6R)-1-[[(3S,5S)-3,5-dimethyl…
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) | 1.30 | 3.69 | -49.13 | 2 | 5 | 1 | 57 | 290.453 | 2 | ↓ |
Mid Mid (pH 6-8) | 1.30 | 2.35 | -6.03 | 1 | 5 | 0 | 53 | 289.445 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.