| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2008 | 15 | Yes |
Popular Name: (2R)-2-(3-bromo-4-hydroxy-5-methoxy-phenyl)-2-methylamino-acetonitrile (2R)-2-(3-bromo-4-hydroxy-5-meth…
| 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) | 1.77 | 1.4 | -9.43 | 2 | 4 | 0 | 65 | 271.114 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.77 | 2.16 | -45.24 | 1 | 4 | -1 | 68 | 270.106 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.77 | 2.75 | -55.23 | 3 | 4 | 1 | 70 | 272.122 | 3 | ↓ |
