UCSF

ZINC65322099

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 10th, 2011 31 No

Popular Name: 6-ethoxy-4-[[4-(5-nitrofuran-2-carbonyl)piperazin-1-yl]methyl]chromen-2-one 6-ethoxy-4-[[4-(5-nitrofuran-2-c…

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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) 2.42 10.51 -60.54 1 10 1 123 428.421 6 ↓
Mid Mid (pH 6-8) 2.42 8.27 -13.94 0 10 0 122 427.413 6 ↓

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

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