| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 6th, 2011 | 18 | No |
Popular Name: 2-[(2S)-1-(1,1-dioxothian-4-yl)-2-piperidyl]-N-methyl-ethanamine 2-[(2S)-1-(1,1-dioxothian-4-yl)-…
| 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) | 1.08 | 1.74 | -55.4 | 2 | 4 | 1 | 54 | 275.438 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.08 | 3.8 | -126.19 | 3 | 4 | 2 | 55 | 276.446 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
