| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 29th, 2010 | 20 | Yes |
Popular Name: 4-(3-aminoprop-1-ynyl)-N-[(2S)-2-cyanopropyl]-N-ethyl-benzamide 4-(3-aminoprop-1-ynyl)-N-[(2S)-2…
| 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) | 0.82 | 6.44 | -54.47 | 3 | 4 | 1 | 72 | 270.356 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.82 | 6.03 | -11.78 | 2 | 4 | 0 | 70 | 269.348 | 4 | ↓ |
