UCSF

ZINC28360221

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 26th, 2009 35 No

Popular Name: 2-[(5Z)-5-[[3-benzyloxy-4-(p-tolylmethoxy)phenyl]methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]acetic 2-[(5Z)-5-[[3-benzyloxy-4-(p-tol…

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) 4.42 15.07 -58.65 0 6 -1 81 504.609 9 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PMT1-1-F Dolichyl-phosphate-mannose--protein Mannosyltransferase 1 (cluster #1 Of 1), Fungal Fungi 2700 0.22 Binding ≤ 10μM
Z50442-1-O Candida Albicans (cluster #1 Of 4), Other Other 600 0.25 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PMT1_CANAL O74189 Dolichyl-phosphate-mannose--protein Mannosyltransferase 1, Canal 2700 0.22 Binding ≤ 10μM
Z50442 Z50442 Candida Albicans 600 0.25 Functional ≤ 10μM

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