UCSF

ZINC14243924

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2008 31 Yes

Popular Name: 1-(2,4-difluorophenyl)-6-fluoro-7-[(1S,5R)-6-methylamino-3-azabicyclo[3.1.0]hexan-3-yl]-4-oxo-1,8-na 1-(2,4-difluorophenyl)-6-fluoro-…

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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) 1.18 12.87 -92.02 2 7 0 95 430.386 4 ↓
Lo Low (pH 4.5-6) 1.18 10.87 -51.81 3 7 1 92 431.394 4 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50472-1-O Toxoplasma Gondii (cluster #1 Of 4), Other Other 1000 0.27 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50472 Z50472 Toxoplasma Gondii 1000 0.27 Functional ≤ 10μM

Rings

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