| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 2nd, 2009 | 21 | Yes |
Popular Name: 2-[4-[[2-(3-fluorophenyl)ethylamino]methyl]phenoxy]acetonitrile 2-[4-[[2-(3-fluorophenyl)ethylam…
| 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) | 3.28 | 7.76 | -9.85 | 1 | 3 | 0 | 45 | 284.334 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.28 | 9.11 | -57.29 | 2 | 3 | 1 | 50 | 285.342 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
