| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 29th, 2010 | 21 | No |
Popular Name: (E)-3-[4-[2-[[(2S)-2-cyanopropyl]-methyl-amino]ethoxy]phenyl]prop-2-enoic (E)-3-[4-[2-[[(2S)-2-cyanopropyl…
| 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) | 2.53 | 7.71 | -52.96 | 0 | 5 | -1 | 76 | 287.339 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.53 | 9.81 | -88.67 | 1 | 5 | 0 | 78 | 288.347 | 8 | ↓ |
