In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 10th, 2011 | 19 | Yes |
Popular Name: (4aR)-8,9-dimethoxy-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinoxalin-5-one (4aR)-8,9-dimethoxy-1,2,3,4,4a,6…
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) | -0.06 | 1.19 | -49.05 | 3 | 6 | 1 | 67 | 264.305 | 2 | ↓ |
Mid Mid (pH 6-8) | -0.06 | -0.2 | -8.48 | 2 | 6 | 0 | 63 | 263.297 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.