| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 4th, 2011 | 19 | Yes |
Popular Name: (1R)-1-(2,3-difluorophenyl)-N-ethyl-2-(4-pyridyl)ethanamine (1R)-1-(2,3-difluorophenyl)-N-et…
| 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) | 2.80 | 7.9 | -46.96 | 2 | 2 | 1 | 29 | 263.311 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.80 | 6.98 | -7.85 | 1 | 2 | 0 | 25 | 262.303 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.80 | 8.36 | -105.21 | 3 | 2 | 2 | 31 | 264.319 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
