| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 16 | No |
Popular Name: (3R,4S)-4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-1,1-dioxo-thiolan-3-ol (3R,4S)-4-[(3R)-3-(dimethylamino…
| 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) | -0.90 | -1.33 | -45.95 | 2 | 5 | 1 | 62 | 249.356 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.90 | -3.75 | -11.22 | 1 | 5 | 0 | 61 | 248.348 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.90 | -1.54 | -47.63 | 2 | 5 | 1 | 62 | 249.356 | 2 | ↓ |
| Lo Low (pH 4.5-6) | -0.90 | 0.86 | -121.25 | 3 | 5 | 2 | 63 | 250.364 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
