| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 20th, 2009 | 19 | Yes |
Popular Name: 2-[4-[[(5-bromo-2-thienyl)methylamino]methyl]phenoxy]acetonitrile 2-[4-[[(5-bromo-2-thienyl)methyl…
| 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) | 3.57 | 8.11 | -56.5 | 2 | 3 | 1 | 50 | 338.25 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.57 | 6.76 | -9.14 | 1 | 3 | 0 | 45 | 337.242 | 6 | ↓ |
