UCSF

ZINC13584125

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 19 No

Popular Name: N-[(2-chlorophenyl)methyl]-5-nitro-furan-2-carboxamide N-[(2-chlorophenyl)methyl]-5-nit…

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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) 2.50 5.7 -7.65 1 6 0 88 280.667 4 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80583-1-O Vero (Kidney Cells) (cluster #1 Of 7), Other Other 12 0.58 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80583 Z80583 Vero (Kidney Cells) 11.75 0.58 Functional ≤ 10μM

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

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