| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 15th, 2011 | 20 | Yes |
Popular Name: 3-[2-bromo-4-[(1R)-1-(methylamino)ethyl]phenoxy]benzonitrile 3-[2-bromo-4-[(1R)-1-(methylamin…
| 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) | 4.28 | 8.99 | -46.87 | 2 | 3 | 1 | 50 | 332.221 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.28 | 7.81 | -7.3 | 1 | 3 | 0 | 45 | 331.213 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
