UCSF

ZINC19735252

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 20 No

Popular Name: 4-Hydroxy-2-methyl-3-(3-oxo-butyl)-quinoline-6-carboxylic acid 4-Hydroxy-2-methyl-3-(3-oxo-buty…

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CAS Numbers: 247225-35-0 , 36164-38-2

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) 1.15 5.51 -84.23 1 5 -1 90 272.28 4 ↓

Vendor Notes

Note Type Comments Provided By
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.