In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 11 | Yes |
Popular Name: (2R)-2-(5-bromo-2-thienyl)-2-(methylamino)acetonitrile (2R)-2-(5-bromo-2-thienyl)-2-(me…
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) | 2.30 | 3.17 | -6.52 | 1 | 2 | 0 | 36 | 231.118 | 2 | ↓ |
Lo Low (pH 4.5-6) | 2.30 | 4.41 | -47.78 | 2 | 2 | 1 | 40 | 232.126 | 2 | ↓ |