| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2009 | 19 | Yes |
Popular Name: 3-bromo-4-[(5-chloro-2-hydroxy-phenyl)methylamino]benzonitrile 3-bromo-4-[(5-chloro-2-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) | 4.28 | 5.91 | -8.1 | 2 | 3 | 0 | 56 | 337.604 | 3 | ↓ |
| Hi High (pH 8-9.5) | 4.28 | 6.67 | -34.77 | 1 | 3 | -1 | 59 | 336.596 | 3 | ↓ |
