UCSF

ZINC12410093

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2008 16 Yes

Popular Name: 8-Ethyl-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid 8-Ethyl-4-oxo-1,4-dihydro-quinol…

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CAS Numbers: 170648-67-6 , 63136-16-3 , [170648-67-6]

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) 1.07 7.31 -67.05 1 4 -1 73 216.216 2 ↓
Lo Low (pH 4.5-6) 1.07 5.47 -31.47 2 4 0 76 217.224 2 ↓
Lo Low (pH 4.5-6) 2.37 5.45 -36.59 2 4 0 74 217.224 2 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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