UCSF

ZINC00854136

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2004 28 Yes

Popular Name: 2-CHLORO-N-(3-CYANO-5,6-DIHYDRO-4H-CYCLOPENTA[B]THIOPHEN-2-YL)-5-DIETHYLSULFAMOYL-BENZAMIDE 2-CHLORO-N-(3-CYANO-5,6-DIHYDRO-…

Find On: PubMed — Wikipedia — Google

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) 3.62 8.22 -12.54 1 6 0 90 437.974 6 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 5.87e-03 g/l DrugBank-experimental

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Q8DNV6-1-B UDP-N-acetylmuramoylalanine-D-glutamyl-lysine-D-alanyl-D-alanine Ligase (cluster #1 Of 1), Bacterial Bacteria 8000 0.25 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Q8DNV6_STRR6 Q8DNV6 UDP-N-acetylmuramoylalanine-D-glutamyl-lysine-D-alanyl-D-alanine Ligase, Strr6 8000 0.25 Binding ≤ 10μM

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

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