UCSF

ZINC13407713

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 18th, 2008 31 No

Popular Name: N-[[(E)-1-methyl-3-(4-phenylphenyl)but-2-enylidene]amino]-2,4-dinitro-aniline N-[[(E)-1-methyl-3-(4-phenylphen…

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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) 7.49 14.19 -11.68 1 8 0 116 416.437 7 ↓

Vendor Notes

Note Type Comments Provided By
mp 200 - 201 MolMall (formerly Molecular Diversity Preservation International)

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Rings

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

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