| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 8th, 2010 | 18 | Yes |
Popular Name: (1S,2R)-2-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]cycloheptanecarbonitrile (1S,2R)-2-[[(1S,2R,3R)-2,3-dimet…
| 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) | 4.55 | 8.56 | -39.15 | 2 | 2 | 1 | 40 | 249.422 | 2 | ↓ |
| Hi High (pH 8-9.5) | 4.55 | 7.82 | -4.99 | 1 | 2 | 0 | 36 | 248.414 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
