Job Description The European Molecular Biology Laboratory (EMBL) is one of the highest ranked scientific research organisations in the world. The Headquarters Laboratory is located in Heidelberg (Germany), with additional sites in Grenoble (France), Hamburg (Germany), Hinxton (UK) and Monterotondo (Italy).Job Description The European Molecular Biology Laboratory (EMBL) is one of the highest ranked scientific research organisations in the world. The Headquarters Laboratory is located in Heidelberg (Germany), with additional sites in Grenoble (France), Hamburg (Germany), Hinxton (UK) and Monterotondo (Italy). The Headquarters Laboratory is located in Heidelberg (Germany), with additional sites in Grenoble (France), Hamburg (Germany), Hinxton (UK) and Monterotondo (Italy).
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Standard InChIKeyInChIKey=YLQBMQCUIZJEEH-UHFFFAOYSA-N
Intelligence Networking
Everyone can upload their own compound data making it possible to share information and communicate with the public.
Most Comprehensive Database
Billions of data sets on over 100 million chemical compounds. Search quickly by chemical name or structure to find the data you need.
Various Properties
Extensive database providing thermo-physico-chemical, toxicity, spectra and quantum data.
Properties & Information Available
Compound Information
Compound Information provides basic information such as structure, formula, name and various structure identifiers.
Compound Information Covered:
2D Structure Image
Molecular Formula
SMILES
IUPAC Name
Molecular Weight
(Standard) InChI
BioActivity
Biological activity is the effect of a chemical compound on living organisms.
Bioactivity Covered:
Lethal Dose
Lethal Concentration
Effective Dose
Effective Concentration
Concentration of Activity
Growth Concentration
Analysis
Analysis information is based on quantum mechanics providing fundamental scientific information of a chemical compound.
Analysis Information Covered:
3D Optimized Geometry
Bond Length, Bond Angle, Dihedral Angle
Molecular Vibrations
Molecular Orbitals (including HOMO, LUMO)
Physico-Chemical Property
Physico-chemical properties have constant, T-dependent and miscellaneous properties.
A constant property is invariant with temperature, a T-dependent property is correlated as a function of temperature, and a miscellaneous property is some additional information.
Temperature Dependent Properties Covered:
Acentric Factor
Ionization Potential
Heat Capacity
Dipole Moment
Electron Affinity
Heat of Vaporization
Heat of Formation
Polarizability
Density
Heat of Fusion
Parachor
Thermal Conductivity
Heat of Combustion
Liquid Molar Volume
Vapor Pressure
Gibbs Free Energy
Refractive Index
Viscosity
Entropy
Solubility Parameter
Surface Tension
Melting Point
Magnetic Susceptibility
Second Virial Coefficient
Normal Boiling Point
Radius of Gyration
Appearance
Critical Properties
van der Waals Area & Volume
Odor
Flash Point
Stability
Flammability Limit
logP
Safety
Autoignition Temperature
logS
Phase (State of Matter)
Toxicity
Toxicity is the degree to which a substance can harm a cell or organism.
Toxicity Covered:
Irritation/Corrosion
Carcinogenicity
Genetic Toxicity
Sensitization
Mutagenicity
Bioaccumulation
Acute Toxicity
Degradation
Manufacturer
Manufacturer information lists the chemical vendors that sell the compound.
Manufacturer Information Covered:
Manufacturer / Supplier Name
Information of Company or Products
Website of Vendor or Catalog
Drug Related Property
Drug information is useful for the tasks related to pharmaceutical development.
Drug Information Covered:
Lipinski's Rule of Five
Drug-likeness Index
Activity Score
Spectra
Spectra information is useful in chemical analysis.
Terminator Rue 22 hours ago
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