UCSF

ZINC09310951

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2007 32 Yes

Popular Name: 2,5-bis[(2-phenylacetyl)amino]terephthalic 2,5-bis[(2-phenylacetyl)amino]te…

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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) 3.94 -0.39 -112.55 2 8 -2 138 430.416 8 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Q7ZJM1-1-V Human Immunodeficiency Virus Type 1 Integrase (cluster #1 Of 6), Viral Viruses 9000 0.22 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Q7ZJM1_9HIV1 Q7ZJM1 Human Immunodeficiency Virus Type 1 Integrase, 9hiv1 7000 0.23 Binding ≤ 10μM

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