UCSF

ZINC26828226

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2009 36 Yes

Popular Name: 8-(difluoromethoxy)-6-fluoro-1-(2-fluoroethyl)-7-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxo-quinoline 8-(difluoromethoxy)-6-fluoro-1-(…

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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) 2.07 9.44 -62.5 0 8 -1 87 508.448 8 ↓
Mid Mid (pH 6-8) -0.67 8.48 -28.08 1 8 0 90 509.456 7 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50607-1-O Human Immunodeficiency Virus 1 (cluster #1 Of 10), Other Other 270 0.26 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50607 Z50607 Human Immunodeficiency Virus 1 270 0.26 Functional ≤ 10μM

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