| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 15th, 2011 | 17 | Yes |
Popular Name: (1S)-1-[3-bromo-4-(2-ethylimidazol-1-yl)phenyl]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) | 0.74 | 6.68 | -55.02 | 3 | 3 | 1 | 45 | 295.204 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.74 | 6.35 | -6.57 | 2 | 3 | 0 | 44 | 294.196 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.74 | 7.2 | -86.14 | 4 | 3 | 2 | 47 | 296.212 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
