UCSF

ZINC01595003

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 12 No

Popular Name: Dixanthogen Dixanthogen

Find On: PubMed — Wikipedia — Google

CAS Numbers: 502-55-6 , [502-55-6]

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) 2.87 6.56 -7.26 0 2 0 18 242.412 7 ↓

Vendor Notes

Note Type Comments Provided By
Therapy ectoparasitoside, insecticide SMDC Pharmakon

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 108 0.81 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50607 Z50607 Human Immunodeficiency Virus 1 107.7 0.81 Functional ≤ 10μM

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