UCSF

ZINC14015147

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2008 29 No

Popular Name: 1,3-cyclohexanedione, 2-[1-(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)-3-phenylpropyl]-5,5-dimethyl- 1,3-cyclohexanedione, 2-[1-(2-hy…

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Physical Representations

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) 4.71 13.52 -126.64 0 4 -2 80 394.511 5 ↓
Mid Mid (pH 6-8) 4.71 12.61 -44.95 1 4 -1 77 395.519 5 ↓
Mid Mid (pH 6-8) 4.71 12.57 -57.37 1 4 -1 77 395.519 5 ↓
Lo Low (pH 4.5-6) 4.13 10.44 -24.16 1 4 0 71 396.527 5 ↓

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Rings

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.