| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 24 | Yes |
Popular Name: 2-(benzotriazol-1-yl)-N-(2-cyanoethyl)-N-(2-pyridylmethyl)acetamide 2-(benzotriazol-1-yl)-N-(2-cyano…
| 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) | 0.39 | 7.05 | -28.66 | 0 | 7 | 0 | 88 | 320.356 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 0.39 | 7.47 | -55.94 | 1 | 7 | 1 | 89 | 321.364 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
