| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 11th, 2011 | 31 | No |
Popular Name: 1-(4-methyl-1-piperidyl)-2-(methylBLAHyl)sulfanyl-ethanone 1-(4-methyl-1-piperidyl)-2-(meth…
| 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) | 2.46 | 6.49 | -9.05 | 3 | 8 | 0 | 75 | 463.677 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.46 | 7.73 | -55.81 | 4 | 8 | 1 | 80 | 464.685 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
