UCSF

ZINC14015133

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2008 31 Yes

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

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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) 2.27 10.85 -16.14 0 6 0 87 428.525 5 ↓
Mid Mid (pH 6-8) 3.44 9.31 -116.14 0 6 -2 99 426.509 5 ↓
Mid Mid (pH 6-8) 3.44 8.17 -48.81 1 6 -1 96 427.517 5 ↓
Mid Mid (pH 6-8) 2.85 10.29 -50.89 0 6 -1 93 427.517 5 ↓

Activity (Go SEA)

Rings

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

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