UCSF

ZINC01359455

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 25 Yes

Popular Name: 2-phenyl-1-[4-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]piperidino]ethanone 2-phenyl-1-[4-[3-(2-thienyl)-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) 3.36 -1.2 -14.87 0 5 0 59 353.447 4 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ETHR-1-B HTH-type Transcriptional Regulator EthR (cluster #1 Of 1), Bacterial Bacteria 5600 0.29 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ETHR_MYCTU P96222 HTH-type Transcriptional Regulator EthR, Myctu 5600 0.29 Binding ≤ 10μM

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

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