In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 2nd, 2009 | 18 | Yes |
Popular Name: [(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-(5-bromo-3-thienyl)methanone [(9aS)-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) | 2.21 | 7.63 | -42.6 | 1 | 3 | 1 | 25 | 330.271 | 1 | ↓ |
Mid Mid (pH 6-8) | 2.21 | 5.37 | -8.36 | 0 | 3 | 0 | 24 | 329.263 | 1 | ↓ |