| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 13th, 2010 | 20 | Yes |
Popular Name: 3-[[(1S)-2-amino-1-(4-methoxyphenyl)ethyl]-isobutyl-amino]propanenitrile 3-[[(1S)-2-amino-1-(4-methoxyphe…
| 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) | 1.37 | 5.37 | -58.12 | 3 | 4 | 1 | 64 | 276.404 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 1.37 | 5.66 | -148.5 | 4 | 4 | 2 | 65 | 277.412 | 8 | ↓ |
