UCSF

ZINC00027320

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2005 11 Yes

Popular Name: 5-Phenyl-1H-1,2,3-triazole 5-Phenyl-1H-1,2,3-triazole

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1680-44-0 , [1680-44-0]

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) 1.46 3.22 -6.02 1 3 0 42 145.165 1 ↓

Vendor Notes

Note Type Comments Provided By
Purity 97% Fluorochem
PUBCHEM_PATENT_ID EP0023026A1; EP0023028A1; EP0728145A1; EP0754184A1; EP0770079A1; EP0821670A1; EP0840744A1; EP0874854A2; EP0920867A1; EP1059293A1; US4330427; US4336155; US5350746; US5593986; US5604218; US5607926; US5688786; US5698547; US5756493; US5780498; US5789584; US58 IBM Patent Data
PUBCHEM_PATENT_ID US4481360 IBM Patent Data
PUBCHEM_PATENT_ID US4820637 IBM Patent Data

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
I23O1-4-E Indoleamine 2,3-dioxygenase 1 (cluster #4 Of 5), Eukaryotic Eukaryotes 5000 0.67 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
I23O1_MOUSE P28776 Indoleamine 2,3-dioxygenase 1, Mouse 5000 0.67 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Tryptophan catabolism

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