UCSF

ZINC40442517

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 28 Yes

Popular Name: Ethyl 9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-3,7-dihydro-2H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylate Ethyl 9-fluoro-3-methyl-10-(4-me…

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CAS Number: 177472-30-9

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) 0.37 11.05 -53.09 1 7 1 65 390.435 4 ↓
Mid Mid (pH 6-8) 0.37 8.72 -14.74 0 7 0 64 389.427 4 ↓

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

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