In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 12th, 2008 | 19 | No |
Popular Name: 2,2,4,4-tetramethyl-6-[(2R)-2-methylbutanoyl]cyclohexane-1,3,5-trione 2,2,4,4-tetramethyl-6-[(2R)-2-me…
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) | 1.75 | 8.22 | -37.72 | 0 | 4 | -1 | 74 | 265.329 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.75 | 6.52 | -42.2 | 0 | 4 | -1 | 74 | 265.329 | 2 | ↓ |
Mid Mid (pH 6-8) | 1.16 | 6.39 | -7.23 | 0 | 4 | 0 | 68 | 266.337 | 3 | ↓ |