| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 14th, 2011 | 17 | No |
Popular Name: 2-[4-[(3S,4S)-4-amino-1,1-dioxo-thiolan-3-yl]piperazin-1-yl]ethanol 2-[4-[(3S,4S)-4-amino-1,1-dioxo-…
| 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) | -2.29 | -7.03 | -12.18 | 3 | 6 | 0 | 87 | 263.363 | 3 | ↓ |
| Mid Mid (pH 6-8) | -2.29 | -7.02 | -65.36 | 4 | 6 | 1 | 88 | 264.371 | 3 | ↓ |
| Mid Mid (pH 6-8) | -2.29 | -4.76 | -117.62 | 5 | 6 | 2 | 90 | 265.379 | 3 | ↓ |
| Mid Mid (pH 6-8) | -2.29 | -4.8 | -44.82 | 4 | 6 | 1 | 88 | 264.371 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
