| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2010 | 17 | No |
Popular Name: (3S,4S)-1,1-dioxo-4-[2-(1-piperidyl)ethylamino]thiolan-3-ol (3S,4S)-1,1-dioxo-4-[2-(1-piperi…
| 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) | -0.36 | -1.19 | -47.96 | 3 | 5 | 1 | 71 | 263.383 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.36 | 0.58 | -111.92 | 3 | 5 | 1 | 78 | 263.383 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.36 | -2.16 | -59.94 | 3 | 5 | 1 | 74 | 263.383 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.36 | -3.42 | -12.63 | 2 | 5 | 0 | 70 | 262.375 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
