In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 15th, 2010 | 14 | Yes |
Popular Name: 5-Methyl-3-oxo-1,3,3a,4,5,7a-hexahydro-isobenzofuran-4-carboxylic acid 5-Methyl-3-oxo-1,3,3a,4,5,7a-hex…
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 | 5.74 | -52.93 | 0 | 4 | -1 | 66 | 195.194 | 1 | ↓ |