UCSF

ZINC64539005

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2011 25 Yes

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

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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) 4.86 10.6 -78.74 3 4 2 44 335.451 6 ↓
Hi High (pH 8-9.5) 4.86 8.28 -8.49 1 4 0 41 333.435 6 ↓
Hi High (pH 8-9.5) 4.86 8.43 -22.85 2 4 1 42 334.443 6 ↓
Hi High (pH 8-9.5) 4.86 10.21 -43.29 2 4 1 42 334.443 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 2638 0.31 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50425 Z50425 Plasmodium Falciparum 2638 0.31 Functional ≤ 10μM

Rings

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

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