| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 29th, 2010 | 19 | Yes |
Popular Name: N-(4-aminophenyl)-3-[[(2S)-2-cyanopropyl]-methyl-amino]propanamide N-(4-aminophenyl)-3-[[(2S)-2-cya…
| 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) | 1.02 | 5.14 | -56.03 | 4 | 5 | 1 | 83 | 261.349 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.02 | 3.08 | -13.03 | 3 | 5 | 0 | 82 | 260.341 | 6 | ↓ |
