| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 19th, 2010 | 20 | Yes |
Popular Name: 2-[(1,3-benzodioxol-4-ylmethylamino)methyl]-6-bromo-phenol 2-[(1,3-benzodioxol-4-ylmethylam…
| 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) | 3.26 | 4.78 | -44.87 | 3 | 4 | 1 | 55 | 337.193 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.26 | 5.54 | -31.41 | 2 | 4 | 0 | 58 | 336.185 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.26 | 4.16 | -41.64 | 1 | 4 | -1 | 54 | 335.177 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.26 | 3.4 | -7.97 | 2 | 4 | 0 | 51 | 336.185 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
