| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2008 | 21 | Yes |
Popular Name: 2-[(1,3-benzodioxol-5-ylmethylamino)methyl]-6-methoxy-phenol 2-[(1,3-benzodioxol-5-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) | 2.33 | 4.41 | -60.46 | 3 | 5 | 1 | 65 | 288.323 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.33 | 2.99 | -11.99 | 2 | 5 | 0 | 60 | 287.315 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.33 | 5.04 | -44.11 | 2 | 5 | 0 | 67 | 287.315 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
