UCSF

ZINC27618216

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2009 21 No

Popular Name: 2-chloro-N-[2-(4-chlorophenyl)ethyl]quinazolin-4-amine 2-chloro-N-[2-(4-chlorophenyl)et…

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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) 5.00 9.62 -13.2 1 3 0 38 318.207 4 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z81338-1-O T-cells (cluster #1 Of 3), Other Other 1200 0.39 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z81338 Z81338 T-cells 1200 0.39 Functional ≤ 10μM

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

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