| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 8th, 2010 | 16 | Yes |
Popular Name: (1S,2R)-2-[[(2R)-1,4-dioxan-2-yl]methylamino]cyclohexanecarbonitrile (1S,2R)-2-[[(2R)-1,4-dioxan-2-yl…
| 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) | 1.28 | 3.91 | -46.36 | 2 | 4 | 1 | 59 | 225.312 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.28 | 2.75 | -8.51 | 1 | 4 | 0 | 54 | 224.304 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
