| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 15th, 2011 | 20 | Yes |
Popular Name: N-[(1R)-1-[3-bromo-4-(2-ethylimidazol-1-yl)phenyl]ethyl]propan-1-amine N-[(1R)-1-[3-bromo-4-(2-ethylimi…
| 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) | 3.87 | 10.06 | -50.69 | 2 | 3 | 1 | 34 | 337.285 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.87 | 8.95 | -5.2 | 1 | 3 | 0 | 30 | 336.277 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.87 | 10.58 | -83.75 | 3 | 3 | 2 | 36 | 338.293 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
