UCSF

ZINC64540188

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2011 26 Yes

Popular Name: 2-[(3-chloro-10H-indolo[3,2-b]quinolin-11-yl)oxy]-N,N-diethyl-ethanamine 2-[(3-chloro-10H-indolo[3,2-b]qu…

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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) 5.51 11.09 -82.73 3 4 2 44 369.896 6 ↓
Hi High (pH 8-9.5) 5.51 8.93 -23.4 2 4 1 42 368.888 6 ↓
Hi High (pH 8-9.5) 5.51 8.55 -7.52 1 4 0 41 367.88 6 ↓
Mid Mid (pH 6-8) 5.51 10.71 -44.59 2 4 1 42 368.888 6 ↓

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 1332 0.32 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50425 Z50425 Plasmodium Falciparum 1332 0.32 Functional ≤ 10μM

Rings

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

No pre-computed analogs available. Try a structural similarity search.