UCSF

ZINC19721594

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2008 17 Yes

Popular Name: 7-Chloro-4-piperazinylquinoline 7-Chloro-4-piperazinylquinoline

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CAS Numbers: 837-52-5 , [837-52-5]

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 2.23 6.55 -92.88 3 3 2 34 249.745 1 ↓
Hi High (pH 8-9.5) 2.23 5.08 -31.3 2 3 1 29 248.737 1 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50425-3-O Plasmodium Falciparum (cluster #3 Of 22), Other Other 300 0.54 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50425 Z50425 Plasmodium Falciparum 1020 0.49 Functional ≤ 10μM

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