UCSF

ZINC19721664

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2008 16 Yes

Popular Name: 4-Hydroxy-7-methoxyquinoline-3-carboxylic acid 4-Hydroxy-7-methoxyquinoline-3-c…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 28027-17-0 , [28027-17-0]

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) 0.24 5.11 -65.18 1 5 -1 82 218.188 2 ↓
Lo Low (pH 4.5-6) 1.54 3.25 -37.73 2 5 0 84 219.196 2 ↓
Lo Low (pH 4.5-6) 0.24 2.62 -35.31 2 5 0 85 219.196 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 269 - 271 Enamine Building Blocks
MP 269...271 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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