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Jasen preklop med dedupliciranimi compounds in posameznimi samples.
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Compounds 3586 Samples 0
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6 results for Pattern / motif query
Pattern / motif 6 results DB Docking_panel_21
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Query interpretation
Pattern registry Vnos: phosphonate Phosphonate
ID 539 DB Docking_panel_21
2D structure

OHD_TB2022_30

ID 539

Nc1nc2c(ncn2C[C@@H](COCP(=O)(O)O)OC[C@H](O)CO)c(=O)[nH]1

Formula: C12H20N5O8P

MW: 393.29 | LogP: -2.41

TPSA: 206.04

Patterns:

Phosphonate
Detail
ID 695 DB Docking_panel_21
2D structure

OHD_TB2022_31

ID 695

Nc1nc2c(ncn2C[C@H](COCP(=O)(O)O)OCCCP(=O)(O)O)c(=O)[nH]1

Formula: C12H21N5O9P2

MW: 441.27 | LogP: -1.19

TPSA: 223.11

Patterns:

Phosphonate
Detail
ID 1216 DB Docking_panel_21
2D structure

OHD_TB2021_33

ID 1216

Nc1ncnc2c1ncn2[C@H](COCc1ccccc1)COCP(=O)(O)O

Formula: C16H20N5O5P

MW: 393.34 | LogP: 1.32

TPSA: 145.61

Patterns:

Phosphonate
Detail
ID 1233 DB Docking_panel_21
2D structure

OHD_TB2021_36

ID 1233

Nc1ncnc2c1ncn2[C@@H](CCOCP(=O)(O)O)OCCO

Formula: C11H18N5O6P

MW: 347.27 | LogP: -0.54

TPSA: 165.84

Patterns:

Phosphonate
Detail
ID 1278 DB Docking_panel_21
2D structure

OHD_TB2022_32

ID 1278

Nc1nc2c(ncn2C[C@@H](COCP(=O)(O)O)OC[C@@H](O)P(=O)(O)O)c(=O)[nH]1

Formula: C11H19N5O10P2

MW: 443.25 | LogP: -2.27

TPSA: 243.34

Patterns:

Phosphonate
Detail
ID 1317 DB Docking_panel_21
2D structure

Z1546616194

ID 1317

C[C@H](Cn1cnc2c(N)ncnc21)OCP(=O)(O)O

Formula: C9H14N5O4P

MW: 287.22 | LogP: -0.05

TPSA: 136.38

Patterns:

Phosphonate
Detail