UCSF

ZINC00056827

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 16 No

Popular Name: 4,4'-Dithiodianiline 4,4'-Dithiodianiline

Find On: PubMed — Wikipedia — Google

CAS Numbers: 722-27-0 , [722-27-0]

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) 2.56 -2.65 -5.44 4 2 0 52 248.376 3 ↓

Vendor Notes

Note Type Comments Provided By
mp 177.2 - 178.4 MolMall (formerly Molecular Diversity Preservation International)
MP 75 TCI
Purity 98% 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 30 0.66 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50607 Z50607 Human Immunodeficiency Virus 1 29.6 0.66 Functional ≤ 10μM

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