| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 8th, 2010 | 17 | No |
Popular Name: (1S,2R)-2-[[(3R)-1,1-dioxothiolan-3-yl]amino]cycloheptanecarbonitrile (1S,2R)-2-[[(3R)-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) | 1.68 | 2.28 | -15.75 | 1 | 4 | 0 | 70 | 256.371 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.68 | 3.13 | -63.2 | 2 | 4 | 1 | 75 | 257.379 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
