UCSF

ZINC04136159

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2005 33 No

Popular Name: 6-[5-[[4-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]hexan 6-[5-[[4-[(4-chlorophenyl)methox…

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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) 4.61 -0.31 -56.91 0 6 -1 80 505.037 11 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Q965D5-1-E Enoyl-acyl-carrier Protein Reductase (cluster #1 Of 1), Eukaryotic Eukaryotes 6500 0.22 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Q965D5_PLAFA Q965D5 Enoyl-acyl-carrier Protein Reductase, Plafa 5100 0.22 Binding ≤ 10μM

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