UCSF

ZINC04283529

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2005 20 Yes

Popular Name: Tritylamine Tritylamine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 5824-40-8 , [5824-40-8]

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 4.57 0.23 -43.55 3 1 1 27 260.36 3 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 100-104? Alfa-Aesar
Melting_Point 100-104° Alfa-Aesar
MP 102 TCI
MP 102-104° Oakwood Chemical
BP 223 / 14 TCI
Boiling_Point 223?/14mm Alfa-Aesar
Boiling_Point 223°/14mm Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KCNN4-1-E Intermediate Conductance Calcium-activated Potassium Channel Protein 4 (cluster #1 Of 2), Eukaryotic Eukaryotes 70 0.50 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
KCNN4_HUMAN O15554 Intermediate Conductance Calcium-activated Potassium Channel Protein 4, Human 70 0.50 Binding ≤ 1μM
KCNN4_HUMAN O15554 Intermediate Conductance Calcium-activated Potassium Channel Protein 4, Human 70 0.50 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Ca2+ activated K+ channels

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