| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 29th, 2010 | 16 | Yes |
Popular Name: (2S)-3-[[(1S)-1-(4-aminophenyl)ethyl]-methyl-amino]-2-methyl-propanenitrile (2S)-3-[[(1S)-1-(4-aminophenyl)e…
| 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) | 1.91 | 6.59 | -41.41 | 3 | 3 | 1 | 54 | 218.324 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.91 | 4.82 | -7.77 | 2 | 3 | 0 | 53 | 217.316 | 4 | ↓ |
