UCSF

ZINC12403784

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Substance Information

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

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

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CAS Numbers: , 940218-46-2 , [940218-46-2]

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) 1.10 0.13 -70.72 1 6 -1 90 305.354 8 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

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