In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 19th, 2011 | 18 | Yes |
Popular Name: (9aR)-2-(2H-imidazol-2-ylmethyl)-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one (9aR)-2-(2H-imidazol-2-ylmethyl)…
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) | -1.07 | 0.92 | -32.64 | 2 | 6 | 1 | 57 | 250.326 | 2 | ↓ |
Hi High (pH 8-9.5) | -1.07 | 0.31 | -10.14 | 1 | 6 | 0 | 55 | 249.318 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.