| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 4th, 2011 | 20 | Yes |
Popular Name: (1S,2R,4S)-N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-2,4-dimethyl-cyclohexanamine (1S,2R,4S)-N-[(6-bromo-1,3-benzo…
| 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) | 4.28 | 7.97 | -38.45 | 2 | 3 | 1 | 35 | 341.269 | 3 | ↓ |
| Hi High (pH 8-9.5) | 4.28 | 6.93 | -3.19 | 1 | 3 | 0 | 30 | 340.261 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
