| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2011 | 20 | Yes |
Popular Name: 1-[[(2S)-1-methyl-2-piperidyl]methyl]-4-propylsulfonyl-piperazine 1-[[(2S)-1-methyl-2-piperidyl]me…
| 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) | 1.41 | 4.63 | -40.6 | 1 | 5 | 1 | 45 | 304.48 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.41 | 2.33 | -8.89 | 0 | 5 | 0 | 44 | 303.472 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
