| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2009 | 14 | Yes |
Popular Name: (2R)-2-methyl-3-[[(1S)-1-(4-pyridyl)ethyl]amino]propanenitrile (2R)-2-methyl-3-[[(1S)-1-(4-pyri…
| 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) | 1.30 | 4.11 | -8.51 | 1 | 3 | 0 | 49 | 189.262 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.30 | 5.21 | -56.37 | 2 | 3 | 1 | 53 | 190.27 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.30 | 4.56 | -38.43 | 2 | 3 | 1 | 50 | 190.27 | 4 | ↓ |
