| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2008 | 20 | Yes |
Popular Name: (1S)-1-(2-pyridyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine (1S)-1-(2-pyridyl)-N-[[2-(triflu…
| 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) | 3.13 | 8.27 | -31.77 | 2 | 2 | 1 | 29 | 281.301 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.13 | 7.43 | -6.51 | 1 | 2 | 0 | 25 | 280.293 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
