| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 15th, 2011 | 21 | Yes |
Popular Name: (1S)-2-(4-bromophenyl)-1-[3-(trifluoromethoxy)phenyl]ethanamine (1S)-2-(4-bromophenyl)-1-[3-(tri…
| 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) | 2.98 | 7.47 | -53.79 | 3 | 2 | 1 | 37 | 361.181 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.98 | 7.18 | -4.36 | 2 | 2 | 0 | 35 | 360.173 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
