| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 27th, 2010 | 20 | Yes |
Popular Name: 4-[(2S)-3-[[(2R)-2-cyanopropyl]-methyl-amino]-2-hydroxy-propoxy]benzonitrile 4-[(2S)-3-[[(2R)-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) | 1.67 | 4.17 | -14.11 | 1 | 5 | 0 | 80 | 273.336 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.67 | 6.31 | -59.48 | 2 | 5 | 1 | 81 | 274.344 | 7 | ↓ |
