| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 8th, 2010 | 18 | No |
Popular Name: (1S,2S)-2-[[(3S)-1,1-dioxothiolan-3-yl]methylamino]cycloheptanecarbonitrile (1S,2S)-2-[[(3S)-1,1-dioxothiola…
| 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) | 2.06 | 4.12 | -60.8 | 2 | 4 | 1 | 75 | 271.406 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.06 | 2.71 | -16.46 | 1 | 4 | 0 | 70 | 270.398 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![Cycloheptyl-[(1,1-diketothiolan-3-yl)methyl]amine](http://zinc12.docking.org/img/rings/156213.gif)