| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 23rd, 2011 | 21 | Yes |
Popular Name: (1S,2R,4R)-2-[3-methoxypropyl(methyl)amino]-4-phenyl-cyclohexanecarbonitrile (1S,2R,4R)-2-[3-methoxypropyl(me…
| 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) | 3.48 | 9.76 | -48.56 | 1 | 3 | 1 | 37 | 287.427 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.48 | 7.74 | -10.84 | 0 | 3 | 0 | 36 | 286.419 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
