| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 5th, 2009 | 30 | Yes |
Popular Name: (2S)-2-[2-(3,4-dimethoxyphenyl)ethyl-oxo-BLAHyl]sulfanylpropanenitrile (2S)-2-[2-(3,4-dimethoxyphenyl)e…
| 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) | 3.99 | 12.32 | -15.52 | 0 | 6 | 0 | 77 | 441.578 | 7 | ↓ |
