| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 15th, 2010 | 19 | Yes |
Popular Name: N-[(1S)-1-(2-fluorophenyl)-2-(2-pyridyl)ethyl]propan-1-amine N-[(1S)-1-(2-fluorophenyl)-2-(2-…
| 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) | 3.31 | 8.49 | -36.24 | 2 | 2 | 1 | 29 | 259.348 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.31 | 7.83 | -5.85 | 1 | 2 | 0 | 25 | 258.34 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.31 | 8.99 | -103.98 | 3 | 2 | 2 | 31 | 260.356 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
