UCSF

ZINC13896877

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 28th, 2008 17 No

Popular Name: 2-((N'E)-N'-cinnamylidenehydrazino)thiazol-4-one 2-((N'E)-N'-cinnamylidenehydrazi…

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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) 1.91 6.26 -9.86 1 4 0 54 245.307 3 ↓
Hi High (pH 8-9.5) 1.91 5.14 -41.82 0 4 -1 56 244.299 4 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50466-3-O Trypanosoma Cruzi (cluster #3 Of 8), Other Other 2300 0.46 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50466 Z50466 Trypanosoma Cruzi 2300 0.46 Functional ≤ 10μM

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

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