UCSF

ZINC01555356

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 18 No

Popular Name: benzoyldisulfide benzoyldisulfide

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CAS Number: 644-32-6

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) 4.28 1.82 -9.36 0 2 0 34 274.366 5 ↓

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 23 0.59 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50607 Z50607 Human Immunodeficiency Virus 1 23.2 0.59 Functional ≤ 10μM

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