| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 13th, 2010 | 20 | Yes |
Popular Name: 3-[[(1R,2S)-2-amino-1-(p-tolyl)propyl]-isobutyl-amino]propanenitrile 3-[[(1R,2S)-2-amino-1-(p-tolyl)p…
| 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) | 2.16 | 6.34 | -52.09 | 3 | 3 | 1 | 55 | 274.432 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 2.16 | 8.38 | -126.33 | 4 | 3 | 2 | 56 | 275.44 | 7 | ↓ |
