UCSF

ZINC01260255

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 14th, 2004 21 No

Popular Name: (5Z)-5-[[5-(3,5-dichlorophenyl)-2-furyl]methylene]-2-thioxo-3-thiazolin-4-olate (5Z)-5-[[5-(3,5-dichlorophenyl)-…

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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) 4.74 7.32 -43.62 0 3 -1 49 355.247 2 ↓
Mid Mid (pH 6-8) 4.29 8.43 -10.97 1 3 0 46 356.255 2 ↓

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 6100 0.35 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Q965D5_PLAFA Q965D5 Enoyl-acyl-carrier Protein Reductase, Plafa 4100 0.36 Binding ≤ 10μM

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

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