UCSF

ZINC00469642

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 21 Yes

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

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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) 3.77 6.24 -11.21 0 5 0 57 282.299 4 ↓

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 54 0.48 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
LUCI_PHOPY P08659 Luciferin 4-monooxygenase, Phopy 200 0.45 Binding ≤ 1μM
LUCI_PHOPE Q27757 Luciferin 4-monooxygenase, Phope 54 0.48 Binding ≤ 1μM
LUCI_PHOPE Q27757 Luciferin 4-monooxygenase, Phope 54 0.48 Binding ≤ 10μM
LUCI_PHOPY P08659 Luciferin 4-monooxygenase, Phopy 200 0.45 Binding ≤ 10μM

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