UCSF

ZINC34189396

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 12th, 2009 19 Yes

Popular Name: (E)-4-Chloro-2-styrylquinazoline (E)-4-Chloro-2-styrylquinazoline

Find On: PubMed — Wikipedia — Google

CAS Number: 36950-43-3

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) 4.82 9.43 -7.69 0 2 0 26 266.731 2 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80491-1-O SK-N-MC (Neuroepithelioma Cells) (cluster #1 Of 4), Other Other 4960 0.39 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80491 Z80491 SK-N-MC (Neuroepithelioma Cells) 4960 0.39 Functional ≤ 10μM

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

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