| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 28th, 2011 | 21 | Yes |
Popular Name: 1-butylsulfonyl-4-[[(2R)-1-methyl-2-piperidyl]methyl]piperazine 1-butylsulfonyl-4-[[(2R)-1-methy…
| 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) | 1.97 | 5.39 | -44.29 | 1 | 5 | 1 | 45 | 318.507 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.97 | 3.06 | -8.44 | 0 | 5 | 0 | 44 | 317.499 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
