UCSF

ZINC01646639

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 10 No

Popular Name: Acetamide, 2,2'-dithiodi-; Dithiodiglycolamide; Ethanol,2,2'-dithiodi-amide; LS-9483; USAF HA-4 Acetamide, 2,2'-dithiodi-; Dithi…

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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) -1.20 -5.05 -17.98 4 4 0 86 180.254 5 ↓

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 84 0.99 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50607 Z50607 Human Immunodeficiency Virus 1 12.9 1.10 Functional ≤ 10μM

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

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