UCSF

ZINC02167250

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 15 Yes

Popular Name: 7-Chloro-4-(2-hydroxyethyl)aminoquinoline 7-Chloro-4-(2-hydroxyethyl)amino…

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CAS Number: 91066-18-1

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) 2.05 -4.11 -8.03 2 3 0 45 222.675 3 ↓

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 5070 0.49 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50425 Z50425 Plasmodium Falciparum 200 0.63 Functional ≤ 10μM

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