UCSF

ZINC19727275

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 25 Yes

Popular Name: 6-(2-morpholinoethyl)indolo[2,3-b]quinoxaline 6-(2-morpholinoethyl)indolo[2,3-…

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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) 3.50 7.05 -12.43 0 5 0 43 332.407 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50651-1-O Vesicular Stomatitis Virus (cluster #1 Of 2), Other Other 4467 0.30 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50651 Z50651 Vesicular Stomatitis Virus 1621.8101 0.32 Functional ≤ 10μM

Rings

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