| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 13th, 2010 | 20 | Yes |
Popular Name: 3-[[(1S,2R)-2-amino-1-(3-pyridyl)butyl]-isobutyl-amino]propanenitrile 3-[[(1S,2R)-2-amino-1-(3-pyridyl…
| 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 | 4.93 | -54.56 | 3 | 4 | 1 | 68 | 275.42 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 1.01 | 6.52 | -129.9 | 4 | 4 | 2 | 69 | 276.428 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 1.01 | 6.03 | -115.4 | 4 | 4 | 2 | 69 | 276.428 | 8 | ↓ |
