UCSF

ZINC01664624

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 16 No

Popular Name: 4,4'-Dichlorodiphenyl disulfide 4,4'-Dichlorodiphenyl disulfide

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CAS Numbers: 1142-19-4 , [1142-19-4]

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) 5.76 1.16 -2.37 0 0 0 0 287.236 3 ↓

Vendor Notes

Note Type Comments Provided By
BP 180 / 2 TCI
Melting_Point 71-74? Alfa-Aesar
Melting_Point 71-74° Alfa-Aesar
MP 72 TCI
Purity 99%min APIChem

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50607-4-O Human Immunodeficiency Virus 1 (cluster #4 Of 10), Other Other 5 0.73 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50607 Z50607 Human Immunodeficiency Virus 1 5.2 0.72 Functional ≤ 10μM

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