| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 20th, 2008 | 21 | Yes |
Popular Name: N-[(7-bromo-1,3-benzodioxol-5-yl)methyl]-2-(4-chlorophenyl)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) | 4.61 | 7.4 | -6.58 | 1 | 3 | 0 | 30 | 368.658 | 5 | ↓ |
| Mid Mid (pH 6-8) | 4.61 | 8.81 | -58.77 | 2 | 3 | 1 | 35 | 369.666 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
