| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 4th, 2011 | 18 | Yes |
Popular Name: (1S)-1-(2,3-difluorophenyl)-N-methyl-2-(4-pyridyl)ethanamine (1S)-1-(2,3-difluorophenyl)-N-me…
| 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) | 2.43 | 6.99 | -47.18 | 2 | 2 | 1 | 29 | 249.284 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.43 | 6.27 | -6.74 | 1 | 2 | 0 | 25 | 248.276 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.43 | 7.45 | -106.62 | 3 | 2 | 2 | 31 | 250.292 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
