| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 1st, 2011 | 29 | Yes |
Popular Name: N-(2-cyanoethyl)-N-[3-(dimethylamino)propyl]-5-methyl-1-(5-quinolyl)triazole-4-carboxamide N-(2-cyanoethyl)-N-[3-(dimethyla…
| 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) | 1.26 | 10.33 | -49.27 | 1 | 8 | 1 | 92 | 392.487 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 1.26 | 10.75 | -85.83 | 2 | 8 | 2 | 93 | 393.495 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
