| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 5th, 2010 | 19 | Yes |
Popular Name: (2S)-3-[[(1S,2R)-2-amino-1-(p-tolyl)propyl]-ethyl-amino]-2-methyl-propanenitrile (2S)-3-[[(1S,2R)-2-amino-1-(p-to…
| 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) | 2.49 | 5.79 | -47.15 | 3 | 3 | 1 | 55 | 260.405 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.49 | 7.26 | -127.47 | 4 | 3 | 2 | 56 | 261.413 | 6 | ↓ |
