| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2008 | 21 | Yes |
Popular Name: 3-[(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)methyl]benzonitrile 3-[(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) | 2.13 | 7.77 | -59.01 | 2 | 4 | 1 | 59 | 281.335 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.13 | 6.36 | -9.44 | 1 | 4 | 0 | 54 | 280.327 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
