| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2008 | 20 | Yes |
Popular Name: 1-(1,3-benzodioxol-5-yl)-N-[(5-bromo-2-fluoro-phenyl)methyl]methanamine 1-(1,3-benzodioxol-5-yl)-N-[(5-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) | 3.69 | 7.56 | -50.58 | 2 | 3 | 1 | 35 | 339.184 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.69 | 6.14 | -7.72 | 1 | 3 | 0 | 30 | 338.176 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
