UCSF

ZINC49808125

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2010 21 No

Popular Name: 2-(2-ethoxyphenyl)-5-nitro-1H-benzimidazole 2-(2-ethoxyphenyl)-5-nitro-1H-be…

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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) 3.87 8.39 -13.2 1 6 0 84 283.287 4 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z102306-1-O Aorta (cluster #1 Of 6), Other Other 3710 0.36 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z102306 Z102306 Aorta 3710 0.36 Functional ≤ 10μM

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

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