UCSF

ZINC12138867

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 27th, 2008 21 Yes

Popular Name: 4-(4-{[(2-Methoxyethyl)amino]carbonyl}anilino)-4-oxobutanoic acid 4-(4-{[(2-Methoxyethyl)amino]car…

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CAS Numbers: , 940469-63-6

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) 0.08 -2.74 -50.84 2 7 -1 108 293.299 8 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

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