UCSF

ZINC06845519

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2006 18 No

Popular Name: Myristyltrimethylammonium bromide Myristyltrimethylammonium bromide

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1119-97-7 , 4/3/4574 12:00:00 AM , 4574-04-3 , 8044-71-1 , [1119-97-7] , [4574-04-3] , [65059-43-0]

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) 2.85 5.16 -28.94 0 1 1 0 256.498 13 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 245 - 250 Acros Organics
Melting_Point 245-250? Alfa-Aesar
Melting_Point 245-250° Alfa-Aesar
Hazard C: Corrosive Acros Organics
H phrase H314: Causes severe skin burns and eye damage Acros Organics
H phrase H318: Causes serious eye damage Acros Organics
P phrase P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting Acros Organics
P phrase P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting; P280: Wear eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue r Acros Organics
R phrase R34: Causes burns. Acros Organics
R phrase R34: Causes burns.; R41: Risk of serious damage to eyes. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Acros Organics

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DYN1-1-E Dynamin-1 (cluster #1 Of 2), Eukaryotic Eukaryotes 8150 0.40 Binding ≤ 10μM
Z50425-6-O Plasmodium Falciparum (cluster #6 Of 22), Other Other 900 0.47 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DYN1_HUMAN Q05193 Dynamin-1, Human 9680 0.39 Binding ≤ 10μM
Z50425 Z50425 Plasmodium Falciparum 900 0.47 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
EPH-ephrin mediated repulsion of cells
Formation of annular gap junctions
Gap junction degradation
MHC class II antigen presentation
Recycling pathway of L1
Retrograde neurotrophin signalling
Toll Like Receptor 4 (TLR4) Cascade

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

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