UCSF

ZINC38144728

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 4th, 2010 21 No

Popular Name: (E)-2-(1H-benzimidazol-2-yl)-3-(5-nitro-3-thienyl)prop-2-enenitrile (E)-2-(1H-benzimidazol-2-yl)-3-(…

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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) 2.87 8.31 -8.79 1 6 0 98 296.311 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z81146-1-O LCLC-103H Cell Line (cluster #1 Of 1), Other Other 1420 0.39 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z81146 Z81146 LCLC-103H Cell Line 1420 0.39 Functional ≤ 10μM

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

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