| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 4th, 2011 | 20 | Yes |
Popular Name: 6-[[[(1R,2R,4S)-2,4-dimethylcyclohexyl]amino]methyl]-1,3-benzodioxol-5-ol 6-[[[(1R,2R,4S)-2,4-dimethylcycl…
| 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) | 3.46 | 4.74 | -45.03 | 3 | 4 | 1 | 55 | 278.372 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.46 | 5.4 | -31.54 | 2 | 4 | 0 | 58 | 277.364 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
