UCSF

ZINC04841028

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 7th, 2006 21 No

Popular Name: N-(1-adamantyl)-5-nitro-furan-2-carboxamide N-(1-adamantyl)-5-nitro-furan-2-…

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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) 3.40 6.65 -5.84 1 6 0 88 290.319 3 ↓

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 9 0.54 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80583 Z80583 Vero (Kidney Cells) 9.43 0.54 Functional ≤ 10μM

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

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