| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2008 | 20 | Yes |
Popular Name: 4-[(1,3-benzodioxol-5-ylmethylamino)methyl]benzene-1,3-diol 4-[(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) | 2.22 | 1.25 | -51.45 | 4 | 5 | 1 | 76 | 274.296 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.22 | 2.04 | -40.56 | 3 | 5 | 0 | 78 | 273.288 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
