In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 17th, 2011 | 26 | Yes |
Popular Name: (9aS)-8-[(3-benzyloxyphenyl)methyl]-3,4,6,7,9,9a-hexahydro-2H-pyrazino[1,2-a]pyrazin-1-one (9aS)-8-[(3-benzyloxyphenyl)meth…
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) | 2.21 | 4.7 | -10.52 | 1 | 5 | 0 | 45 | 351.45 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.21 | 6.96 | -40.36 | 2 | 5 | 1 | 46 | 352.458 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.