UCSF

ZINC00002152

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 19 Yes

Popular Name: (3H)-Thiazolone, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-hydroxyethyl)-4-methyl-; 3-((4-Amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-hydroxyethyl)-4-methyl-(3H)-thiazolone; 3-((4-Amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-hydroxyethyl)-4-methylthiazol (3H)-Thiazolone, 3-((4-amino-2-m…

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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) -0.27 -4.5 -13.38 3 6 0 94 280.353 4 ↓
Lo Low (pH 4.5-6) -0.27 -4.38 -35.25 4 6 1 95 281.361 4 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TKT-1-E Transketolase (cluster #1 Of 1), Eukaryotic Eukaryotes 2710 0.41 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
TKT_HUMAN P29401 Transketolase, Human 2710 0.41 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Insulin effects increased synthesis of Xylulose-5-Phosphate
Pentose phosphate pathway (hexose monophosphate shunt)

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

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