UCSF

ZINC02976359

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2004 23 No

Popular Name: 5-[(2-nitro-4-triflyl-phenyl)thio]-1,3,4-thiadiazole-2-thiolate 5-[(2-nitro-4-triflyl-phenyl)thi…

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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) 5.61 3.34 -48.14 0 7 -1 106 402.402 5 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MIF-3-E Macrophage Migration Inhibitory Factor (cluster #3 Of 3), Eukaryotic Eukaryotes 9500 0.31 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
MIF_HUMAN P14174 Macrophage Migration Inhibitory Factor, Human 9500 0.31 Binding ≤ 10μM

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

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