UCSF

ZINC66157213

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2011 23 No

Popular Name: [5-[2-amino-5-(4-methoxyphenyl)thiazol-4-yl]-2-furyl]phosphonic [5-[2-amino-5-(4-methoxyphenyl)t…

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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) 2.20 2.9 -52.96 3 7 -1 122 351.3 4 ↓
Mid Mid (pH 6-8) 2.20 4 -145.53 2 7 -2 124 350.292 4 ↓
Lo Low (pH 4.5-6) 2.20 3.31 -57.99 4 7 0 123 352.308 4 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
F16P1-1-E Fructose-1,6-bisphosphatase 1 (cluster #1 Of 2), Eukaryotic Eukaryotes 22 0.47 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
F16P1_HUMAN P09467 Fructose-1,6-bisphosphatase, Human 22 0.47 Binding ≤ 1μM
F16P1_HUMAN P09467 Fructose-1,6-bisphosphatase, Human 22 0.47 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Gluconeogenesis

Rings

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

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