| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2008 | 21 | No |
Popular Name: 4-[(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)methyl]benzene-1,2-diol 4-[(2,3-dihydro-1,4-benzodioxin-…
| 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) | 1.44 | 2.55 | -56.35 | 4 | 5 | 1 | 76 | 288.323 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.44 | 1.13 | -12.55 | 3 | 5 | 0 | 71 | 287.315 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.44 | 3.34 | -80.56 | 3 | 5 | 0 | 78 | 287.315 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
