In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 15th, 2010 | 20 | Yes |
Popular Name: 1-[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-2-(3-aminophenyl)ethanone 1-[(9aR)-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) | 1.31 | 6.82 | -44.59 | 3 | 4 | 1 | 51 | 274.388 | 2 | ↓ |
Hi High (pH 8-9.5) | 1.31 | 4.57 | -9.55 | 2 | 4 | 0 | 50 | 273.38 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.