| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 10th, 2011 | 18 | No |
Popular Name: 2-[(3R)-1,1-dioxothiolan-3-yl]sulfanyl-1-(4-methylpiperazin-1-yl)ethanone 2-[(3R)-1,1-dioxothiolan-3-yl]su…
| 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) | -0.40 | 3.62 | -59.9 | 1 | 5 | 1 | 59 | 293.434 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.40 | 1.28 | -19.37 | 0 | 5 | 0 | 58 | 292.426 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![2-[(1,1-diketothiolan-3-yl)thio]-1-piperazino-ethanone](http://zinc12.docking.org/img/rings/218446.gif)