In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 7th, 2011 | 24 | Yes |
Popular Name: N-ethyl-N-[[6-(2-quinolyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl]ethanamine N-ethyl-N-[[6-(2-quinolyl)-[1,2,…
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) | 2.84 | 9.69 | -38.68 | 1 | 6 | 1 | 60 | 339.448 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.84 | 7.35 | -11.09 | 0 | 6 | 0 | 59 | 338.44 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.