In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 12th, 2010 | 16 | Yes |
Popular Name: (4aS,8aR)-spiro[1,4,4a,5,6,7,8,8a-octahydroquinoxaline-3,1'-cyclohexane]-2-one (4aS,8aR)-spiro[1,4,4a,5,6,7,8,8…
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) | 2.43 | 3.09 | -4.92 | 2 | 3 | 0 | 41 | 222.332 | 0 | ↓ |
Mid Mid (pH 6-8) | 2.43 | 4.05 | -39.7 | 3 | 3 | 1 | 46 | 223.34 | 0 | ↓ |