In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 28th, 2011 | 25 | Yes |
Popular Name: N-[2-(ethylamino)-2-oxo-ethyl]-2-(4-pyridyl)quinoline-4-carboxamide N-[2-(ethylamino)-2-oxo-ethyl]-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) | 1.95 | 4.36 | -12.4 | 2 | 6 | 0 | 84 | 334.379 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.95 | 4.82 | -42.96 | 3 | 6 | 1 | 85 | 335.387 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.