| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 19th, 2011 | 18 | No |
Popular Name: (2S)-2-[[(3S)-1,1-dioxothian-3-yl]amino]-1-pyrrolidin-1-yl-propan-1-one (2S)-2-[[(3S)-1,1-dioxothian-3-y…
| 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) | -0.03 | 1.91 | -53.37 | 2 | 5 | 1 | 71 | 275.394 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.03 | 0.88 | -16.43 | 1 | 5 | 0 | 66 | 274.386 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![2-[(1,1-diketothian-3-yl)amino]-1-pyrrolidino-ethanone](http://zinc12.docking.org/img/rings/290078.gif)