| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 27th, 2010 | 20 | Yes |
Popular Name: (1S,2S,4S)-2-[[benzyl(2-hydroxyethyl)amino]methyl]-4-methyl-cyclohexanol (1S,2S,4S)-2-[[benzyl(2-hydroxye…
| 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) | 2.25 | 5.09 | -34.81 | 3 | 3 | 1 | 45 | 278.416 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.25 | 3.23 | -4.35 | 2 | 3 | 0 | 44 | 277.408 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
