In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 5th, 2011 | 17 | Yes |
Popular Name: [(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-thiazol-4-yl-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) | 1.33 | 5.73 | -37.13 | 1 | 4 | 1 | 38 | 252.363 | 1 | ↓ |
Mid Mid (pH 6-8) | 1.33 | 3.48 | -9.52 | 0 | 4 | 0 | 36 | 251.355 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.