| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 6th, 2010 | 20 | Yes |
Popular Name: 3-[[(1S,2S)-2-amino-1-(4-chlorophenyl)butyl]-isopropyl-amino]propanenitrile 3-[[(1S,2S)-2-amino-1-(4-chlorop…
| 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) | 2.48 | 6.98 | -50.83 | 3 | 3 | 1 | 55 | 294.85 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 2.48 | 7.85 | -132.69 | 4 | 3 | 2 | 56 | 295.858 | 7 | ↓ |
