UCSF

ZINC02113051

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 24 Yes

Popular Name: 8-Methyl-2-(4-propoxyphenyl)quinoline-4-carboxylic acid 8-Methyl-2-(4-propoxyphenyl)quin…

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CAS Numbers: , 438232-72-5

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) 4.97 0.98 -51.32 0 4 -1 62 320.368 5 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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