| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 29th, 2010 | 20 | Yes |
Popular Name: N-(4-aminophenyl)-4-[[(2S)-2-cyanopropyl]-methyl-amino]butanamide N-(4-aminophenyl)-4-[[(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) | 1.29 | 5.95 | -53.71 | 4 | 5 | 1 | 83 | 275.376 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.29 | 3.88 | -12.6 | 3 | 5 | 0 | 82 | 274.368 | 7 | ↓ |
