UCSF

ZINC19770745

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2008 22 Yes

Popular Name: 2-(4-hydroxy-3-methoxyphenyl)quinoline-4-carboxylic acid 2-(4-hydroxy-3-methoxyphenyl)qui…

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CAS Numbers: , 32366-63-5

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) 2.98 6.47 -42.41 2 5 0 84 295.294 3 ↓
Lo Low (pH 4.5-6) 2.51 5.78 -40.42 2 5 0 79 295.294 2 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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