UCSF

ZINC05068464

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 19th, 2006 18 No

Popular Name: 2-(1H-benzoimidazol-2-yl)-3-(3-thienyl)prop-2-enenitrile 2-(1H-benzoimidazol-2-yl)-3-(3-t…

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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) 2.79 0.22 -7.72 1 3 0 52 251.314 2 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z103204-1-O A427 (cluster #1 Of 4), Other Other 6390 0.40 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z103204 Z103204 A427 6390 0.40 Functional ≤ 10μM

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

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