UCSF

ZINC19798421

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 21 Yes

Popular Name: 2-(4-hydroxyphenyl)-6-methylquinoline-4-carboxylic acid 2-(4-hydroxyphenyl)-6-methylquin…

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CAS Numbers: 116734-15-7 , [116734-15-7]

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) 3.58 7.11 -41.5 2 4 0 74 279.295 2 ↓
Lo Low (pH 4.5-6) 3.63 7.12 -28.77 2 4 0 70 279.295 1 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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