UCSF

ZINC08636687

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 30th, 2007 31 No

Popular Name: N-[4-(aminosulfonyl)phenyl]-2-(4-methoxyphenoxy)-5-nitrobenzamide N-[4-(aminosulfonyl)phenyl]-2-(4…

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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) 3.77 5.34 -18.27 3 10 0 154 443.437 7 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80700-1-O Beta-TC6 (Pancreatic Insulinoma Cells) (cluster #1 Of 1), Other Other 820 0.27 Functional ≤ 10μM
Z80936-1-O HEK293 (Embryonic Kidney Fibroblasts) (cluster #1 Of 4), Other Other 1300 0.27 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80700 Z80700 Beta-TC6 (Pancreatic Insulinoma Cells) 820 0.27 Functional ≤ 10μM
Z80936 Z80936 HEK293 (Embryonic Kidney Fibroblasts) 1300 0.27 Functional ≤ 10μM

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

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