UCSF

ZINC85221130

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 13th, 2013 24 Yes

Popular Name: (S)-Ethyl 7-fluoro-1-(1-hydroxy-3-methylbutan-2-yl)-6-iodo-4-oxo-1,4-dihydroquinoline-3-carboxylate (S)-Ethyl 7-fluoro-1-(1-hydroxy-…

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CAS Numbers: 697762-60-0 , [697762-60-0]

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) 2.70 8.66 -12.86 1 5 0 69 447.244 6 ↓

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

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