UCSF

ZINC13476453

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 20th, 2008 21 Yes

Popular Name: N-[2-(4-chlorophenyl)ethyl]quinazoline-4,7-diamine N-[2-(4-chlorophenyl)ethyl]quina…

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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) 3.05 7.7 -11.49 3 4 0 64 298.777 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 3400 0.36 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z81338 Z81338 T-cells 3400 0.36 Functional ≤ 10μM

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

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