UCSF

ZINC13625042

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 19 Yes

Popular Name: 4-{4-[(Dimethylamino)carbonyl]anilino}-4-oxobutanoic acid 4-{4-[(Dimethylamino)carbonyl]an…

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CAS Numbers: , 941462-99-3

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) -0.13 3.88 -51.28 1 6 -1 90 263.273 5 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

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