| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 23rd, 2011 | 17 | Yes |
Popular Name: (2S,4R)-4-ethyl-2-[[3-methoxypropyl(methyl)amino]methyl]cyclohexanone (2S,4R)-4-ethyl-2-[[3-methoxypro…
| 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) | 2.24 | 7.82 | -35.03 | 1 | 3 | 1 | 31 | 242.383 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.24 | 5.95 | -6.24 | 0 | 3 | 0 | 30 | 241.375 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
