| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 13th, 2010 | 21 | Yes |
Popular Name: 3-[[(1R,2S)-2-amino-1-(4-fluorophenyl)butyl]-isobutyl-amino]propanenitrile 3-[[(1R,2S)-2-amino-1-(4-fluorop…
| 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) | 2.41 | 7.16 | -53.58 | 3 | 3 | 1 | 55 | 292.422 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 2.41 | 8.53 | -135.1 | 4 | 3 | 2 | 56 | 293.43 | 8 | ↓ |
