UCSF

ZINC05908579

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 24 Yes

Popular Name: 6-Chloro-2-(4-isobutylphenyl)quinoline-4-carboxylic acid 6-Chloro-2-(4-isobutylphenyl)qui…

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CAS Numbers: , 895965-44-3

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) 5.59 1.12 -48.87 0 3 -1 53 338.814 4 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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