UCSF

ZINC00073715

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 15 Yes

Popular Name: Thidiazuron Thidiazuron

Find On: PubMed — Wikipedia — Google

CAS Numbers: 51707-55-2 , [51707-55-2]

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) 1.86 2.17 -11.3 2 5 0 67 220.257 2 ↓

Vendor Notes

Note Type Comments Provided By
M.P 213°C Indofine
Purity 95% Fluorochem
Notes Compound with cytokin like activity Apollo Scientific Bioactives
Indications plant growth regulator KeyOrganics Bioactives

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AHK3-1-E Histidine Kinase (cluster #1 Of 1), Eukaryotic Eukaryotes 950 0.56 Binding ≤ 10μM
AHK4-1-E Histidine Kinase (cluster #1 Of 1), Eukaryotic Eukaryotes 1000 0.56 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AHK3_ARATH Q9C5U1 Histidine Kinase, Arath 950 0.56 Binding ≤ 1μM
AHK4_ARATH Q9C5U0 Histidine Kinase, Arath 1000 0.56 Binding ≤ 1μM
AHK3_ARATH Q9C5U1 Histidine Kinase, Arath 950 0.56 Binding ≤ 10μM
AHK4_ARATH Q9C5U0 Histidine Kinase, Arath 1000 0.56 Binding ≤ 10μM

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

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