In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 2nd, 2009 | 17 | No |
Popular Name: (E)-4-[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-4-oxo-but-2-enoic (E)-4-[(9aS)-1,3,4,6,7,8,9,9a-oc…
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) | 0.22 | 6.47 | -65.83 | 1 | 5 | 0 | 65 | 238.287 | 2 | ↓ |
Mid Mid (pH 6-8) | 0.22 | 4.2 | -45.27 | 0 | 5 | -1 | 64 | 237.279 | 2 | ↓ |