UCSF

ZINC01747615

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 16 No

Popular Name: N,N-dimethylcarbamodithioic-acid-(dimethylthiocarbamoyldisulfanylcarbothioylthio)-ester N,N-dimethylcarbamodithioic-acid…

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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) 3.64 -2.97 -16.17 0 2 0 6 348.656 8 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50607-5-O Human Immunodeficiency Virus 1 (cluster #5 Of 10), Other Other 1 0.79 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50607 Z50607 Human Immunodeficiency Virus 1 0.53 0.81 Functional ≤ 10μM

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

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