UCSF

ZINC65535794

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 24 Yes

Popular Name: cyclohexyl 4-{4-nitrophenyl}-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate cyclohexyl 4-{4-nitrophenyl}-2-m…

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Other Names:

MFCD00771557

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) 2.80 6.8 -37.55 2 5 1 46 334.484 7 ↓
Hi High (pH 8-9.5) 2.80 7.41 -40.5 2 5 1 46 334.484 7 ↓
Hi High (pH 8-9.5) 2.80 5.03 -7.48 1 5 0 45 333.476 7 ↓

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

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