| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 15th, 2011 | 21 | Yes |
Popular Name: (1R)-1-[4-(1,3-benzodioxol-5-ylmethoxy)-3-bromo-phenyl]ethanamine (1R)-1-[4-(1,3-benzodioxol-5-ylm…
| 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) | 2.08 | 5.86 | -54.53 | 3 | 4 | 1 | 55 | 351.22 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.08 | 5.56 | -7.69 | 2 | 4 | 0 | 54 | 350.212 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
