UCSF

ZINC65533275

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 18 Yes

Popular Name: methyl 4-{4-nitrophenyl}-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate methyl 4-{4-nitrophenyl}-7-(4-me…

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Other Names:

MFCD00718164

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) 3.49 6.76 -45.02 3 3 1 42 248.394 5 ↓
Lo Low (pH 4.5-6) 3.49 7.23 -95.57 4 3 2 43 249.402 5 ↓

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

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