UCSF

ZINC04887311

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 9th, 2006 24 No

Popular Name: N-[2-[4-(2-acetylaminoethylsulfanylsulfonyl)butylsulfonylsulfanyl]ethyl]acetamide N-[2-[4-(2-acetylaminoethylsulfa…

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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) -1.05 1.3 -43.84 2 8 0 126 420.6 13 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50607-6-O Human Immunodeficiency Virus 1 (cluster #6 Of 10), Other Other 127 0.40 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50607 Z50607 Human Immunodeficiency Virus 1 127.4 0.40 Functional ≤ 10μM

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

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