| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2010 | 18 | No |
Popular Name: (3R,4S)-1,1-dioxo-4-[[(2S)-2-(1-piperidyl)propyl]amino]thiolan-3-ol (3R,4S)-1,1-dioxo-4-[[(2S)-2-(1-…
| 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) | -0.03 | 1.12 | -132.85 | 4 | 5 | 2 | 75 | 278.418 | 4 | ↓ |
| Hi High (pH 8-9.5) | -0.03 | -1.9 | -10.66 | 2 | 5 | 0 | 70 | 276.402 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.03 | 1.66 | -81.29 | 3 | 5 | 1 | 78 | 277.41 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.03 | -0.63 | -51.05 | 3 | 5 | 1 | 74 | 277.41 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.03 | -0.11 | -42.64 | 3 | 5 | 1 | 71 | 277.41 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
