| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 19th, 2010 | 21 | Yes |
Popular Name: 2-bromo-6-[(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)methyl]phenol 2-bromo-6-[(2,3-dihydro-1,4-benz…
| 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) | 2.90 | 5.29 | -49.07 | 3 | 4 | 1 | 55 | 351.22 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.90 | 6.13 | -37.37 | 2 | 4 | 0 | 58 | 350.212 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.90 | 4.65 | -44.79 | 1 | 4 | -1 | 54 | 349.204 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.90 | 3.92 | -8.02 | 2 | 4 | 0 | 51 | 350.212 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
