In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 19th, 2011 | 17 | No |
Popular Name: 2-hydroxy-3-isobutyl-5,6,7,8-tetrahydronaphthalene-1,4-dione 2-hydroxy-3-isobutyl-5,6,7,8-tet…
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) | 2.61 | 7.05 | -40.68 | 0 | 3 | -1 | 57 | 233.287 | 2 | ↓ |
Lo Low (pH 4.5-6) | 2.61 | 6.25 | -4.3 | 1 | 3 | 0 | 54 | 234.295 | 2 | ↓ |