| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 15th, 2011 | 21 | Yes |
Popular Name: 3-[2-chloro-4-[(1R)-1-(ethylamino)ethyl]phenoxy]benzonitrile 3-[2-chloro-4-[(1R)-1-(ethylamin…
| 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) | 4.52 | 9.71 | -46.27 | 2 | 3 | 1 | 50 | 301.797 | 5 | ↓ |
| Hi High (pH 8-9.5) | 4.52 | 8.6 | -6.46 | 1 | 3 | 0 | 45 | 300.789 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
