| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 29th, 2010 | 20 | Yes |
Popular Name: 3-[3-[[(2S)-2-cyanopropyl]-ethyl-amino]propoxy]benzonitrile 3-[3-[[(2S)-2-cyanopropyl]-ethyl…
| 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) | 2.93 | 9.41 | -55.18 | 1 | 4 | 1 | 61 | 272.372 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.93 | 7.56 | -9.85 | 0 | 4 | 0 | 60 | 271.364 | 8 | ↓ |
