UCSF

ZINC72112658

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 2nd, 2012 22 No

Popular Name: 3-oxo-N-[(1R)-2-oxocyclohexyl]dodecanamide 3-oxo-N-[(1R)-2-oxocyclohexyl]do…

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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) 3.90 10.91 -19.58 1 4 0 63 309.45 11 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
LASR-1-B Transcriptional Activator Protein LasR (cluster #1 Of 1), Bacterial Bacteria 10000 0.32 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
LASR_PSEAE P25084 Transcriptional Activator Protein LasR, Pseae 10000 0.32 Binding ≤ 10μM

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

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