UCSF

ZINC20565681

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2008 14 Yes

Popular Name: 7-chloro-N-ethyl-quinolin-4-amine 7-chloro-N-ethyl-quinolin-4-amine

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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) 3.06 5.5 -30.05 2 2 1 26 207.684 2 ↓
Hi High (pH 8-9.5) 3.06 5.1 -7.09 1 2 0 25 206.676 2 ↓

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 870 0.61 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50425 Z50425 Plasmodium Falciparum 820 0.61 Functional ≤ 10μM

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