| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 4th, 2010 | 18 | No |
Popular Name: (3R,4S)-4-[2-dimethylaminoethyl(isobutyl)amino]-1,1-dioxo-thiolan-3-ol (3R,4S)-4-[2-dimethylaminoethyl(…
| 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) | 0.10 | 3.35 | -122.45 | 3 | 5 | 2 | 63 | 280.434 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.10 | 3.07 | -63.86 | 2 | 5 | 1 | 66 | 279.426 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.10 | -1.83 | -10.82 | 1 | 5 | 0 | 61 | 278.418 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.10 | 0.05 | -46.94 | 2 | 5 | 1 | 62 | 279.426 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.10 | 1.09 | -46.57 | 2 | 5 | 1 | 62 | 279.426 | 6 | ↓ |
