UCSF

ZINC13983573

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2008 26 Yes

Popular Name: 4-benzyl-3-benzylsulfanyl-5-phenyl-1,2,4-triazole 4-benzyl-3-benzylsulfanyl-5-phen…

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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) 5.68 14.87 -10.51 0 3 0 31 357.482 6 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50677-1-O Human Immunodeficiency Virus (cluster #1 Of 3), Other Other 5800 0.28 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50677 Z50677 Human Immunodeficiency Virus 5800 0.28 Functional ≤ 10μM

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