| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2010 | 21 | No |
Popular Name: (3R)-1,1-dioxo-N-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]thiolan-3-amine (3R)-1,1-dioxo-N-[2-[4-(2,2,2-tr…
| 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) | 0.46 | -0.25 | -62.85 | 2 | 5 | 1 | 57 | 330.396 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.46 | 0.82 | -53.81 | 2 | 5 | 1 | 54 | 330.396 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.46 | -1.44 | -13.66 | 1 | 5 | 0 | 53 | 329.388 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 0.46 | 2.01 | -149.43 | 3 | 5 | 2 | 58 | 331.404 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
