| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 13th, 2010 | 16 | Yes |
Popular Name: 3-[[(1S)-1-(aminomethyl)-2,2-dimethyl-propyl]-isobutyl-amino]propanenitrile 3-[[(1S)-1-(aminomethyl)-2,2-dim…
| 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) | 1.42 | 4.39 | -50.2 | 3 | 3 | 1 | 55 | 226.388 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 1.42 | 5.61 | -137.56 | 4 | 3 | 2 | 56 | 227.396 | 7 | ↓ |
