| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 15th, 2011 | 19 | Yes |
Popular Name: (1S)-1-[3-bromo-4-(2-ethylimidazol-1-yl)phenyl]-N-ethyl-ethanamine (1S)-1-[3-bromo-4-(2-ethylimidaz…
| 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) | 3.37 | 9.3 | -48.27 | 2 | 3 | 1 | 34 | 323.258 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.37 | 8.2 | -5.79 | 1 | 3 | 0 | 30 | 322.25 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.37 | 9.82 | -80.49 | 3 | 3 | 2 | 36 | 324.266 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
