In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 2nd, 2009 | 16 | No |
Popular Name: 1-[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]butane-1,3-dione 1-[(9aS)-1,3,4,6,7,8,9,9a-octahy…
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) | 0.27 | 7.41 | -51.71 | 1 | 4 | 1 | 42 | 225.312 | 2 | ↓ |
Mid Mid (pH 6-8) | 0.27 | 5.15 | -16.83 | 0 | 4 | 0 | 41 | 224.304 | 2 | ↓ |