UCSF

ZINC00149851

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 19 No

Popular Name: methyl 3-[(4-chlorophenyl)sulfonyl]-1,3-thiazolane-2-carboxylate methyl 3-[(4-chlorophenyl)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) 2.15 5.41 -11.96 0 5 0 64 321.807 4 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50512-6-O Cavia Porcellus (cluster #6 Of 7), Other Other 1000 0.44 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50512 Z50512 Cavia Porcellus 1000 0.44 Functional ≤ 10μM

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

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