UCSF

ZINC21298300

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2008 22 Yes

Popular Name: (S)-10-(Cyanomethyl)-9-fluoro-3-methyl-7-oxo-3,7-dihydro-2H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid (S)-10-(Cyanomethyl)-9-fluoro-3-…

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CAS Numbers: 176760-98-8 , 643743-39-9 , [176760-98-8]

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) -0.29 7.51 -69.28 0 6 -1 95 301.253 2 ↓

Activity (Go SEA)

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