In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 21st, 2009 | 19 | Yes |
Popular Name: [(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-(6-chloro-3-pyridyl)methanone [(9aR)-1,3,4,6,7,8,9,9a-octahydr…
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) | 1.47 | 6.55 | -46.71 | 1 | 4 | 1 | 38 | 280.779 | 1 | ↓ |
Mid Mid (pH 6-8) | 1.47 | 4.3 | -8.72 | 0 | 4 | 0 | 36 | 279.771 | 1 | ↓ |