In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 21st, 2011 | 18 | Yes |
Popular Name: 1-ethyl-4-[[(2R)-2-methyl-1-piperidyl]sulfonyl]piperazine 1-ethyl-4-[[(2R)-2-methyl-1-pipe…
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) | 1.23 | 2.47 | -7.08 | 0 | 5 | 0 | 44 | 275.418 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.23 | 4.69 | -45.72 | 1 | 5 | 1 | 45 | 276.426 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.