UCSF

ZINC71602903

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2011 26 Yes

Popular Name: (1S)-5-ethyl-6-fluoro-1-methyl-4-oxo-7-piperazin-1-yl-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic (1S)-5-ethyl-6-fluoro-1-methyl-4…

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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) 2.52 9.32 -105.3 2 6 0 82 377.441 3 ↓
Hi High (pH 8-9.5) 2.52 8.02 -62.57 1 6 -1 77 376.433 3 ↓
Lo Low (pH 4.5-6) 2.52 7.73 -63.58 3 6 1 79 378.449 3 ↓

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Rings

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

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