UCSF

ZINC35017878

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 21 No

Popular Name: (5-carbamoyl-4H-indeno[1,2-d]thiazol-8-yl)oxymethylphosphonic (5-carbamoyl-4H-indeno[1,2-d]thi…

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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) 0.44 0.3 -140.43 2 7 -2 128 324.254 4 ↓
Mid Mid (pH 6-8) 0.44 -0.83 -53.4 3 7 -1 126 325.262 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 1 0.60 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
F16P1_HUMAN P09467 Fructose-1,6-bisphosphatase, Human 1 0.60 Binding ≤ 1μM
F16P1_HUMAN P09467 Fructose-1,6-bisphosphatase, Human 1 0.60 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.