| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 14th, 2010 | 19 | Yes |
Popular Name: 3-bromo-4-[(3-chloro-4-hydroxy-phenyl)methylamino]benzonitrile 3-bromo-4-[(3-chloro-4-hydroxy-p…
| 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) | 4.07 | 5.92 | -9.1 | 2 | 3 | 0 | 56 | 337.604 | 3 | ↓ |
| Hi High (pH 8-9.5) | 4.07 | 6.68 | -41.89 | 1 | 3 | -1 | 59 | 336.596 | 3 | ↓ |
