UCSF

ZINC12414014

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2008 21 Yes

Popular Name: N,N-dimethyl-N-{4-[2-(2-quinolinyl)vinyl]phenyl}amine N,N-dimethyl-N-{4-[2-(2-quinolin…

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CAS Number: 1612-64-2

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) 4.49 10.39 -8.84 0 2 0 16 274.367 3 ↓

Vendor Notes

Note Type Comments Provided By
mp 167 - 168 MolMall (formerly Molecular Diversity Preservation International)
mp 183 MolMall (formerly Molecular Diversity Preservation International)
mp 229 - 230 MolMall (formerly Molecular Diversity Preservation International)
mp 239 - 240 MolMall (formerly Molecular Diversity Preservation International)

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50418-1-O Trypanosoma Brucei (cluster #1 Of 6), Other Other 6000 0.35 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50418 Z50418 Trypanosoma Brucei 6000 0.35 Functional ≤ 10μM

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