UCSF

ZINC38584668

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 26 No

Popular Name: N'-[(E)-(3-chloro-5-ethoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]-2-(3,5-dimethylphenoxy)acetohy N'-[(E)-(3-chloro-5-ethoxy-4-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) 3.59 9.65 -42.37 2 6 0 77 376.84 7 ↓
Hi High (pH 8-9.5) 3.77 7.11 -43.73 1 6 -1 83 375.832 7 ↓

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

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