| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2009 | 18 | No |
Popular Name: (1S,2R,4S)-2-[[(3R)-1,1-dioxothiolan-3-yl]-methyl-amino]-4-methyl-cyclohexanecarbonitrile (1S,2R,4S)-2-[[(3R)-1,1-dioxothi…
| 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) | 1.42 | 2.5 | -18.43 | 0 | 4 | 0 | 61 | 270.398 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.42 | 4.38 | -61.47 | 1 | 4 | 1 | 62 | 271.406 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
