In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 17th, 2011 | 24 | Yes |
Popular Name: (9aS)-8-(quinoline-3-carbonyl)-2,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazine-1,4-dione (9aS)-8-(quinoline-3-carbonyl)-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) | -0.94 | 2.14 | -20.94 | 1 | 7 | 0 | 83 | 324.34 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.