UCSF

ZINC02719606

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 18 Yes

Popular Name: N-(3-imidazol-1-ylpropyl)-9H-purin-6-amine N-(3-imidazol-1-ylpropyl)-9H-pur…

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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) 0.56 7.86 -40.35 3 7 1 86 244.282 5 ↓
Mid Mid (pH 6-8) 0.56 7.35 -14.79 2 7 0 84 243.274 5 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
EPHB2-1-E Ephrin Type-B Receptor 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 5200 0.41 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
EPHB2_HUMAN P29323 Ephrin Type-B Receptor 2, Human 5200 0.41 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
EPH-ephrin mediated repulsion of cells
EPH-Ephrin signaling
EPHB-mediated forward signaling
Ephrin signaling
L1CAM interactions

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

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