| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 4th, 2011 | 20 | Yes |
Popular Name: N7-[(1R,2R,4R)-2,4-dimethylcyclohexyl]-2,3-dihydro-1,4-benzodioxine-6,7-diamine N7-[(1R,2R,4R)-2,4-dimethylcyclo…
| 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) | 3.53 | 5.34 | -5.92 | 3 | 4 | 0 | 57 | 276.38 | 2 | ↓ |
| Mid Mid (pH 6-8) | 3.53 | 5.22 | -44.48 | 4 | 4 | 1 | 58 | 277.388 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
