UCSF

ZINC13936362

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 29th, 2008 29 No

Popular Name: 3-(4-chlorophenyl)-1-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]thiourea 3-(4-chlorophenyl)-1-[4-[(4-meth…

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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) 3.91 7.5 -16.74 3 6 0 79 447.969 8 ↓
Hi High (pH 8-9.5) 3.91 7.54 -54.97 2 6 -1 82 446.961 8 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50609-1-O Simian Immunodeficiency Virus (cluster #1 Of 2), Other Other 4100 0.26 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50609 Z50609 Simian Immunodeficiency Virus 4100 0.26 Functional ≤ 10μM

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

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