UCSF

ZINC13118735

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 29 Yes

Popular Name: 4-chloro-N-(2-dimethylaminoethyl)-N-(2-furylmethyl)-8-methyl-thieno[4,5-c]quinoline-2-carboxamide 4-chloro-N-(2-dimethylaminoethyl…

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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) 4.92 11.44 -62.68 1 5 1 51 428.965 6 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50600-1-O Vaccinia Virus (cluster #1 Of 2), Other Other 10000 0.24 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50600 Z50600 Vaccinia Virus 10000 0.24 Functional ≤ 10μM

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

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