UCSF

ZINC64540288

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2011 24 No

Popular Name: 4-[(Z)-[[5-(1-methyl-5-nitro-imidazol-2-yl)-1,3,4-thiadiazol-2-yl]hydrazono]methyl]phenol 4-[(Z)-[[5-(1-methyl-5-nitro-imi…

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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) 1.85 5.64 -13.4 2 10 0 134 345.344 5 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50466-7-O Trypanosoma Cruzi (cluster #7 Of 8), Other Other 7100 0.30 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50466 Z50466 Trypanosoma Cruzi 1300 0.34 Functional ≤ 10μM

Rings

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

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