The Major Microspecies Plugin determines the major (de)protonated form of the molecule at a specified pH. The output of the plugin is the major microspecies displayed in 2D.
Options
Popular Predecessors
- Row Filter29 %
- SDF Reader11 %
- Standardizer7 %
- RDKit Canon SMILES7 %
- MolConverter5 %
- MarvinSketch5 %
- MolImporter4 %
- pKa4 %
- Row Splitter4 %
- Molecule Type Cast4 %
- Math Formula4 %
- RDKit Substructure Filter3 %
- Java Snippet2 %
- Tautomers2 %
Table Column to Variable2 %- Elemental Analysis< 1 %
- Charge< 1 %
- Column Filter< 1 %
- Java Snippet (simple)< 1 %
- 3D Coordinates< 1 %
- RDKit Salt Stripper< 1 %
- Chunk Loop Start< 1 %
- Concatenate< 1 %
Cell Replacer< 1 %
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Workflows
Evotec_Covalent_Processing_forGoldKNIME Hub- Evotec_StructureBasedVirtualScreening_CalibrationKNIME Hub
- Lean_SBVScalibration_forJCAMD_EmbedDataKNIME Hub
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Developers
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