| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 5th, 2010 | 18 | Yes |
Popular Name: 3-[[(1S,2S)-2-amino-1-(4-fluorophenyl)butyl]-methyl-amino]propanenitrile 3-[[(1S,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) | 1.29 | 5.47 | -51.73 | 3 | 3 | 1 | 55 | 250.341 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.29 | 6.95 | -137.47 | 4 | 3 | 2 | 56 | 251.349 | 6 | ↓ |
