Compounds

Library browser

Jasen preklop med dedupliciranimi compounds in posameznimi samples.

Open analysis

Compounds 3586 Samples 0

Search Workspace

Chemical search

Build a query, refine the result set, and sketch a structure without leaving the page.

Regex Pattern / motif 860 results

Clear

Query

Treat text query as regular expression

Mode

Sort

Per page

Similarity threshold

Threshold 0.50

Properties

MW min

MW max

LogP min

LogP max

TPSA min

TPSA max

Property fields regex

Reset all

Results

860 results for Pattern / motif query

Cards

Pattern / motif 860 results DB Docking_panel_21

Selected 0 Select all on page Select all results

Global compound selection stays available across the browser. Save selected compounds into analysis sets A / B / C, then use union, intersection or negation in the Analysis selection workbench.

Query interpretation

Pattern registry Vnos: cyclohexane Cyclohexane

Select ID 9 DB Docking_panel_21

Z82167273

ID 9

O=C(CSc1ncnc2c1oc1ccccc12)NC1CCCCC1

Formula: C18H19N3O2S

MW: 341.44 | LogP: 3.92

TPSA: 68.02

Patterns:

Cyclohexane

Detail

Select ID 43 DB Docking_panel_21

OHD_TbNat_135

ID 43

COc1cc2ccc(=O)oc2c(OC)c1OC[C@H]1C(C)=CC[C@H]2C(C)(C)[C@@H](O)CC[C@@]12C

Formula: C26H34O6

MW: 442.55 | LogP: 4.96

TPSA: 78.13

Patterns:

Cyclohexane

Detail

Select ID 45 DB Docking_panel_21

Z56920485

ID 45

Cc1cs/c(=N\C2CCCCC2)n1/N=C/c1ccc(O)c(O)c1O

Formula: C17H21N3O3S

MW: 347.44 | LogP: 3.09

TPSA: 90.34

Patterns:

Cyclohexane

Detail

Select ID 46 DB Docking_panel_21

OSA_Lib_316

ID 46

CN(Cc1ccc(C[NH3+])cc1)[C@]12C[NH2+]C[C@H]([C@H](c3ccccc3)C1)[C@H](c1ccccc1)C2

Formula: C29H37N3+2

MW: 427.64 | LogP: 3.15

TPSA: 47.49

Patterns:

Cyclohexane

Detail

Select ID 50 DB Docking_panel_21

OSA_Lib_272

ID 50

C[NH+]1CCN(CC[N@H+](C)[C@]23CNC[C@H]([C@@H](c4ccccc4)C2)[C@@H](c2ccccc2)C3)CC1

Formula: C28H42N4+2

MW: 434.67 | LogP: 0.65

TPSA: 24.15

Patterns:

Cyclohexane

Detail

Select ID 56 DB Docking_panel_21

TC64

ID 56

C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)C#CCc1ccccc1

Formula: C29H36O2

MW: 416.61 | LogP: 5.74

TPSA: 37.30

Patterns:

Cyclohexane

Detail

Select ID 69 DB Docking_panel_21

OSA_Lib_305

ID 69

c1ccc([C@@H]2C[C@]3(N4CCCC4)C[C@@H](c4ccccc4)[C@H]2C[N@H+](Cc2ccncc2)C3)cc1

Formula: C30H36N3+

MW: 438.64 | LogP: 4.29

TPSA: 20.57

Patterns:

Cyclohexane

Detail

Select ID 73 DB Docking_panel_21

OHD_TC2_88

ID 73

C[C@H](NCc1cn(Cc2ccccc2)nn1)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

Formula: C31H44N4O

MW: 488.72 | LogP: 5.74

TPSA: 62.97

Patterns:

Cyclohexane

Detail

Select ID 74 DB Docking_panel_21

OSA_Lib_304

ID 74

C[N@H+](Cc1ccccn1)[C@@]12CNC[C@@H]([C@@H](c3ccccc3)C1)[C@H](c1ccccc1)C2

Formula: C27H32N3+

MW: 398.57 | LogP: 3.42

TPSA: 29.36

Patterns:

Cyclohexane

Detail

Select ID 76 DB Docking_panel_21

OSA_Lib_303

ID 76

C[N@H+](Cc1cccnc1)[C@]12CNC[C@H]([C@@H](c3ccccc3)C1)[C@@H](c1ccccc1)C2

Formula: C27H32N3+

MW: 398.57 | LogP: 3.42

TPSA: 29.36

Patterns:

Cyclohexane

Detail

Select ID 84 DB Docking_panel_21

OSA_Lib_28

ID 84

CN(C)[C@@]12CC[NH2+][C@@H]([C@@H](c3cccc4ccccc34)C1)[C@H](c1cccc3ccccc13)C2

Formula: C30H33N2+

MW: 421.61 | LogP: 5.29

TPSA: 19.85

Patterns:

Cyclohexane

Detail

Select ID 93 DB Docking_panel_21

OSA_Lib_236

ID 93

C[NH+](C)[C@]12C[C@H]([NH2+]CC[NH+]3CCCC3)[C@H]([C@@H](c3ccccc3)C1)[C@H](c1ccccc1)C2

Formula: C28H42N3+3

MW: 420.67 | LogP: 0.86

TPSA: 25.49

Patterns:

Cyclohexane

Detail

Select ID 97 DB Docking_panel_21

KB_Leish_38

ID 97

C[N@@H+](Cc1nc2ccc(C(=O)NCC3CCCCC3)cc2[nH]1)[C@H]1CCCc2cccnc21

Formula: C26H34N5O+

MW: 432.59 | LogP: 3.36

TPSA: 75.11

Patterns:

Cyclohexane

Detail

Select ID 102 DB Docking_panel_21

OSA_Lib_277

ID 102

C[NH+]1CCN(CCCC[N@@H+](C)[C@]23CNC[C@H]([C@@H](c4ccccc4)C2)[C@H](c2ccccc2)C3)CC1

Formula: C30H46N4+2

MW: 462.73 | LogP: 1.43

TPSA: 24.15

Patterns:

Cyclohexane

Detail

Select ID 105 DB Docking_panel_21

OSA_Lib_315

ID 105

CN(Cc1ccc(C[NH+]2CCCC2)cc1)[C@]12C[NH2+]C[C@H]([C@H](c3ccccc3)C1)[C@H](c1ccccc1)C2

Formula: C33H43N3+2

MW: 481.73 | LogP: 3.59

TPSA: 24.29

Patterns:

Cyclohexane

Detail

Select ID 108 DB Docking_panel_21

KB_Leish_1

ID 108

COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)Nc2ccc(Cl)cc2Cl)cc1

Formula: C24H29Cl2N2O3+

MW: 464.41 | LogP: 3.89

TPSA: 63.00

Patterns:

Cyclohexane

Detail

Select ID 112 DB Docking_panel_21

OSA_Lib_301

ID 112

C[N@@H+](Cc1ccc(N)cc1)[C@]12CNC[C@H]([C@@H](c3ccccc3)C1)[C@@H](c1ccccc1)C2

Formula: C28H34N3+

MW: 412.60 | LogP: 3.60

TPSA: 42.49

Patterns:

Cyclohexane

Detail

Select ID 115 DB Docking_panel_21

OSA_Lib_281

ID 115

C[N@@H+](CCC[NH+]1CCCC1)[C@]12CNC[C@H]([C@@H](c3ccccc3)C1)[C@H](c1ccccc1)C2

Formula: C28H41N3+2

MW: 419.66 | LogP: 1.89

TPSA: 20.91

Patterns:

Cyclohexane

Detail

Select ID 116 DB Docking_panel_21

OSA_Lib_136

ID 116

CN(C)[C@@]12C[C@H](c3ccccc3)[C@@H](C[N@@H+](CCCN3CC[NH+](C)CC3)C1)[C@H](c1ccccc1)C2

Formula: C30H46N4+2

MW: 462.73 | LogP: 1.38

TPSA: 15.36

Patterns:

Cyclohexane

Detail

Select ID 117 DB Docking_panel_21

TC165

ID 117

COc1ccc(C#CC(=O)[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)c(C)c1

Formula: C30H38O3

MW: 446.63 | LogP: 5.86

TPSA: 46.53

Patterns:

Cyclohexane

Detail

Page 1 / 43