UCSF

ZINC53033408

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2010 22 No

Popular Name: 5-chloro-6-(2,4-difluoroanilino)-2-methyl-1H-benzimidazole-4,7-dione 5-chloro-6-(2,4-difluoroanilino)…

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Annotations

Vendors

    None

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) 1.88 4.88 -33.61 0 5 -1 73 322.678 1 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80951-1-O NIH3T3 (Fibroblasts) (cluster #1 Of 4), Other Other 800 0.39 Functional ≤ 10μM
Z81057-1-O HUVEC (Umbilical Vein Endothelial Cells) (cluster #1 Of 4), Other Other 1000 0.38 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z81057 Z81057 HUVEC (Umbilical Vein Endothelial Cells) 1000 0.38 Functional ≤ 10μM
Z80951 Z80951 NIH3T3 (Fibroblasts) 800 0.39 Functional ≤ 10μM

Rings

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

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