| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2009 | 18 | Yes |
Popular Name: 2-[(3-aminophenyl)methyl-(3-cyanopropyl)amino]acetamide 2-[(3-aminophenyl)methyl-(3-cyan…
| 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) | -0.75 | 3.12 | -52.74 | 5 | 5 | 1 | 97 | 247.322 | 7 | ↓ |
| Hi High (pH 8-9.5) | -0.75 | 1.05 | -14.63 | 4 | 5 | 0 | 96 | 246.314 | 7 | ↓ |
