| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 15th, 2011 | 20 | Yes |
Popular Name: (1S)-N-methyl-1-(2-pyridyl)-1-[3-(trifluoromethoxy)phenyl]methanamine (1S)-N-methyl-1-(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) | 3.05 | 6.19 | -38.15 | 2 | 3 | 1 | 39 | 283.273 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.05 | 5.35 | -5.02 | 1 | 3 | 0 | 34 | 282.265 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
