UCSF

ZINC02882071

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2004 19 Yes

Popular Name: 3-(2-methoxyphenyl)-5-phenyl-1,2,4-oxadiazole 3-(2-methoxyphenyl)-5-phenyl-1,2…

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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) 3.74 6.35 -11.57 0 4 0 48 252.273 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
LUCI-1-E Luciferin 4-monooxygenase (cluster #1 Of 1), Eukaryotic Eukaryotes 600 0.46 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
LUCI_PHOPE Q27757 Luciferin 4-monooxygenase, Phope 600 0.46 Binding ≤ 1μM
LUCI_PHOPE Q27757 Luciferin 4-monooxygenase, Phope 600 0.46 Binding ≤ 10μM
LUCI_PHOPY P08659 Luciferin 4-monooxygenase, Phopy 8300 0.37 Binding ≤ 10μM

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

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