UCSF

ZINC04536039

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2005 18 Yes

Popular Name: 5-[(4-Methoxy-phenylamino)-methyl]-furan-2-carboxylic acid 5-[(4-Methoxy-phenylamino)-methy…

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CAS Numbers: 842965-40-6 , [842965-40-6]

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) 2.32 -0.5 -50.73 1 5 -1 74 246.242 5 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

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