UCSF

ZINC59513578

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2011 29 No

Popular Name: 2-[4-(4-cyanophenyl)phenoxy]-N'-[(Z)-(3-hydroxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]acetohydra 2-[4-(4-cyanophenyl)phenoxy]-N'-…

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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) 2.37 8.77 -40.88 3 7 0 111 387.395 6 ↓
Mid Mid (pH 6-8) 2.37 9.57 -90.68 2 7 -1 114 386.387 6 ↓

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

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