UCSF

ZINC04889548

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 10th, 2006 29 No

Popular Name: 2-[(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexenyl)-(2-methoxyphenyl)-methyl]-5,5-dimethyl-cyclohexane- 2-[(2-hydroxy-4,4-dimethyl-6-oxo…

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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) 3.62 10.27 -122.98 0 5 -2 89 396.483 4 ↓
Mid Mid (pH 6-8) 3.62 9.81 -44.72 1 5 -1 87 397.491 4 ↓
Mid Mid (pH 6-8) 3.04 10.93 -47.48 0 5 -1 84 397.491 4 ↓

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

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