| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 7th, 2010 | 18 | Yes |
Popular Name: 1-(1,3-benzodioxol-4-yl)-N-[(4-bromo-2-thienyl)methyl]methanamine 1-(1,3-benzodioxol-4-yl)-N-[(4-b…
| 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) | 3.40 | 6.63 | -45.94 | 2 | 3 | 1 | 35 | 327.223 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.40 | 5.28 | -6.05 | 1 | 3 | 0 | 30 | 326.215 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
