| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 15th, 2011 | 16 | Yes |
Popular Name: (1S)-1-(3-bromo-4-imidazol-1-yl-phenyl)-N-methyl-ethanamine (1S)-1-(3-bromo-4-imidazol-1-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) | 2.34 | 8.13 | -49.65 | 2 | 3 | 1 | 34 | 281.177 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.34 | 6.96 | -5.03 | 1 | 3 | 0 | 30 | 280.169 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.34 | 8.34 | -84.74 | 3 | 3 | 2 | 36 | 282.185 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
