UCSF

ZINC01628592

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 22 Yes

Popular Name: 1-methylol-3-[(2,4,6-triketo-3,5-dimethylol-1,3,5-triazinan-1-yl)methoxymethyl]urea 1-methylol-3-[(2,4,6-triketo-3,5…

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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) -1.72 -15.17 -20.34 5 13 0 177 321.246 7 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Q7ZJM1-2-V Human Immunodeficiency Virus Type 1 Integrase (cluster #2 Of 6), Viral Viruses 5300 0.34 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 5000 0.34 Binding ≤ 10μM

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

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