In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 1st, 2009 | 17 | No |
Popular Name: [(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-[(4R)-thiazolidin-4-yl]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) | 0.60 | 4.07 | -45.94 | 2 | 4 | 1 | 37 | 256.395 | 1 | ↓ |
Mid Mid (pH 6-8) | 0.60 | 5.14 | -98.06 | 3 | 4 | 2 | 41 | 257.403 | 1 | ↓ |
Mid Mid (pH 6-8) | 0.60 | 2.88 | -39.82 | 2 | 4 | 1 | 40 | 256.395 | 1 | ↓ |
Mid Mid (pH 6-8) | 0.60 | 1.82 | -9.29 | 1 | 4 | 0 | 36 | 255.387 | 1 | ↓ |