UCSF

ZINC29123471

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2009 14 Yes

Popular Name: 1-butyl-3-[(3R)-2-oxotetrahydrofuran-3-yl]urea 1-butyl-3-[(3R)-2-oxotetrahydrof…

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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) 0.02 2.16 -21.13 2 5 0 67 200.238 4 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
LUXR-1-B Transcriptional Activator Protein LuxR (cluster #1 Of 2), Bacterial Bacteria 5000 0.53 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
LUXR_VIBFI P12746 Transcriptional Activator Protein LuxR, Vibfi 5000 0.53 Functional ≤ 10μM

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