UCSF

ZINC44124441

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 17 No

Popular Name: N-[4-(2-aminothiazol-5-yl)sulfonylphenyl]hydroxylamine N-[4-(2-aminothiazol-5-yl)sulfon…

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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) 1.15 -1.82 -14.31 4 6 0 105 271.323 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50425-17-O Plasmodium Falciparum (cluster #17 Of 22), Other Other 300 0.54 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50425 Z50425 Plasmodium Falciparum 300 0.54 Functional ≤ 10μM

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

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