| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 13th, 2010 | 21 | Yes |
Popular Name: 3-[[(2S)-3-(3-aminophenoxy)-2-hydroxy-propyl]-isobutyl-amino]propanenitrile 3-[[(2S)-3-(3-aminophenoxy)-2-hy…
| 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) | 1.01 | 4.79 | -52.78 | 4 | 5 | 1 | 84 | 292.403 | 9 | ↓ |
| Mid Mid (pH 6-8) | 1.01 | 3.37 | -10.35 | 3 | 5 | 0 | 83 | 291.395 | 9 | ↓ |
