| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 15th, 2010 | 17 | Yes |
Popular Name: (1S)-1-(2-fluorophenyl)-N-methyl-2-(2-pyridyl)ethanamine (1S)-1-(2-fluorophenyl)-N-methyl…
| 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 | 6.9 | -38.02 | 2 | 2 | 1 | 29 | 231.294 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.43 | 6.1 | -6.23 | 1 | 2 | 0 | 25 | 230.286 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.43 | 7.41 | -103.95 | 3 | 2 | 2 | 31 | 232.302 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
