UCSF

ZINC38146043

Substance Information

In ZINC since Heavy atoms Benign functionality
January 4th, 2010 23 No

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) 3.17 11.08 -26.04 1 5 0 72 325.449 13

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 15 0.48 Functional ≤ 10μM
Q9RMS5-1-B PhzR (cluster #1 Of 1), Bacterial Bacteria 78 0.43 Functional ≤ 10μM
Z50594-4-O Mus Musculus (cluster #4 Of 9), Other Other 6300 0.32 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50594 Z50594 Mus Musculus 6300 0.32 Functional ≤ 10μM
Q9RMS5_PSEAI Q9RMS5 PhzR, Pseai 78 0.43 Functional ≤ 10μM
LASR_PSEAE P25084 Transcriptional Activator Protein LasR, Pseae 10 0.49 Functional ≤ 10μM

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