UCSF

ZINC15774333

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2008 19 No

Popular Name: ethyl 8-nitro-4-oxo-1,4-dihydroquinoline-3-carboxylate ethyl 8-nitro-4-oxo-1,4-dihydroq…

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CAS Number: 94110-86-8

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) 2.05 7.34 -39.06 0 7 -1 108 261.213 4 ↓
Mid Mid (pH 6-8) 0.75 7.66 -17.35 1 7 0 105 262.221 4 ↓

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