| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 12th, 2010 | 17 | Yes |
Popular Name: (2S)-3-[[(1R,2R)-2-amino-1-(2-pyridyl)propyl]-methyl-amino]-2-methyl-propanenitrile (2S)-3-[[(1R,2R)-2-amino-1-(2-py…
| 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) | 0.49 | 2.96 | -45.48 | 3 | 4 | 1 | 68 | 233.339 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.49 | 2.75 | -6.76 | 2 | 4 | 0 | 66 | 232.331 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.49 | 3.4 | -118.08 | 4 | 4 | 2 | 69 | 234.347 | 5 | ↓ |
