| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 29th, 2010 | 21 | Yes |
Popular Name: 3-[(2S)-3-[[(2S)-2-cyanopropyl]-ethyl-amino]-2-hydroxy-propoxy]benzonitrile 3-[(2S)-3-[[(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) | 2.02 | 6.71 | -58.35 | 2 | 5 | 1 | 81 | 288.371 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.02 | 4.77 | -13.22 | 1 | 5 | 0 | 80 | 287.363 | 8 | ↓ |
