| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 8th, 2010 | 17 | Yes |
Popular Name: (1S,2R)-2-[[(1R)-1-(3-pyridyl)ethyl]amino]cyclohexanecarbonitrile (1S,2R)-2-[[(1R)-1-(3-pyridyl)et…
| 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) | 2.37 | 6.45 | -48.92 | 2 | 3 | 1 | 53 | 230.335 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.37 | 5.64 | -11.75 | 1 | 3 | 0 | 49 | 229.327 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
