UCSF

ZINC53298277

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2010 37 No

Popular Name: (E)-1-[2-(4-bromophenyl)-3-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-4-hydroxy-6-methyl-phenyl]-3-(4-chlo (E)-1-[2-(4-bromophenyl)-3-[(E)-…

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Download: MOL2 SDF SMILES Flexibase

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) 9.05 17.11 -9.29 1 3 0 54 592.316 7 ↓
Mid Mid (pH 6-8) 9.05 17.9 -46.76 0 3 -1 57 591.308 7 ↓

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

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