| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 23rd, 2009 | 21 | Yes |
Popular Name: N-[(7-bromo-1,3-benzodioxol-5-yl)methyl]-2-(2-fluorophenyl)ethanamine N-[(7-bromo-1,3-benzodioxol-5-yl…
| 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) | 4.04 | 6.99 | -7.29 | 1 | 3 | 0 | 30 | 352.203 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 4.04 | 8.35 | -51.42 | 2 | 3 | 1 | 35 | 353.211 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
