UCSF

ZINC02719607

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2004 19 Yes

Popular Name: 2-(4-chlorophenyl)ethyl-(9H-purin-6-yl)amine 2-(4-chlorophenyl)ethyl-(9H-puri…

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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) 3.09 8.29 -10.61 2 5 0 66 273.727 4 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80362-8-O P388 (Lymphoma Cells) (cluster #8 Of 8), Other Other 7300 0.38 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80362 Z80362 P388 (Lymphoma Cells) 7300 0.38 Functional ≤ 10μM

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

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