UCSF

ZINC02884084

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 27 Yes

Popular Name: N-[4-(1H-benzoimidazol-2-yl)phenyl]-3-bromo-4-methoxy-benzamide N-[4-(1H-benzoimidazol-2-yl)phen…

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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) 5.23 -1.93 -19.75 2 5 0 67 422.282 4 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
HPSE-1-E Heparanase (cluster #1 Of 2), Eukaryotic Eukaryotes 4000 0.28 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
HPSE_HUMAN Q9Y251 Heparanase, Human 4000 0.28 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
HS-GAG degradation

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

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