| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 15th, 2011 | 20 | Yes |
Popular Name: (1R)-2-(2-pyridyl)-1-[3-(trifluoromethoxy)phenyl]ethanamine (1R)-2-(2-pyridyl)-1-[3-(trifluo…
| 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) | 1.01 | 5.74 | -41.16 | 3 | 3 | 1 | 50 | 283.273 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.01 | 5.18 | -4.75 | 2 | 3 | 0 | 48 | 282.265 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.01 | 5.43 | -117.72 | 4 | 3 | 2 | 51 | 284.281 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
