| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 15th, 2011 | 21 | Yes |
Popular Name: (1S)-N-methyl-2-(2-pyridyl)-1-[3-(trifluoromethoxy)phenyl]ethanamine (1S)-N-methyl-2-(2-pyridyl)-1-[3…
| 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) | 3.26 | 6.71 | -41.08 | 2 | 3 | 1 | 39 | 297.3 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.26 | 5.6 | -4.24 | 1 | 3 | 0 | 34 | 296.292 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.26 | 7.22 | -112.86 | 3 | 3 | 2 | 40 | 298.308 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
