UCSF

ZINC12403800

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2008 22 Yes

Popular Name: 5-{3-[(Butylamino)carbonyl]anilino}-5-oxopentanoic acid 5-{3-[(Butylamino)carbonyl]anili…

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CAS Numbers: , 940536-60-7 , [940536-60-7]

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) 2.02 -1.77 -69.65 2 6 -1 98 305.354 9 ↓

Vendor Notes

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Warnings IRRITANT Matrix Scientific

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

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