| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 13th, 2010 | 18 | Yes |
Popular Name: 3-[[(1S)-2-amino-1-(3-pyridyl)ethyl]-isobutyl-amino]propanenitrile 3-[[(1S)-2-amino-1-(3-pyridyl)et…
| 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) | 0.07 | 4.27 | -59.06 | 3 | 4 | 1 | 68 | 247.366 | 7 | ↓ |
| Hi High (pH 8-9.5) | 0.07 | 4.23 | -7.77 | 2 | 4 | 0 | 66 | 246.358 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 0.07 | 4.22 | -111.97 | 4 | 4 | 2 | 69 | 248.374 | 7 | ↓ |
