In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 15th, 2011 | 18 | Yes |
Popular Name: 1-[(4-methyl-4-piperidyl)methyl]-4-methylsulfonyl-piperazine 1-[(4-methyl-4-piperidyl)methyl]…
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) | 0.06 | 1.14 | -47.77 | 2 | 5 | 1 | 57 | 276.426 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.06 | 2.88 | -107.33 | 3 | 5 | 2 | 58 | 277.434 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.