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1765 results for Pattern / motif query
Pattern / motif 1765 results DB fairmol
Selected 0
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Query interpretation
Pattern registry Vnos: ionizable_base Ionizable base
ID 1 DB fairmol
2D structure

OHD_TC2_31

ID 1

NC(=S)N/N=C/c1ccc(-c2ccc(Br)cc2Cl)o1

Formula: C12H9BrClN3OS

MW: 358.65 | LogP: 3.53

TPSA: 63.55

Patterns:

Ionizable base
Detail
ID 3 DB fairmol
2D structure

Z19597181

ID 3

Cc1ccc(-c2nnc(SCC(=O)NC(=O)Nc3ccc(C)cc3C)n2N)cc1

Formula: C20H22N6O2S

MW: 410.50 | LogP: 3.02

TPSA: 114.93

Patterns:

Ionizable base
Detail
ID 6 DB fairmol
2D structure

CKP-29

ID 6

Nc1cccc2c1[nH+]cn2Cc1ccc2ccccc2c1

Formula: C18H16N3+

MW: 274.35 | LogP: 3.24

TPSA: 45.09

Patterns:

Ionizable base
Detail
ID 7 DB fairmol
2D structure

OSA_Lib_276

ID 7

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

Formula: C21H27N2+

MW: 307.46 | LogP: 2.50

TPSA: 28.64

Patterns:

Ionizable base
Detail
ID 8 DB fairmol
2D structure

Z46109754

ID 8

Cc1cccc(/C=C\C(=O)c2ccc(NC3=[NH+]CCCS3)cc2)c1

Formula: C20H21N2OS+

MW: 337.47 | LogP: 2.88

TPSA: 43.07

Patterns:

Ionizable base
Detail
ID 12 DB fairmol
2D structure

Z45901653

ID 12

O=S(=O)(c1ccc(Br)cc1Cl)N1CCN(C(=S)NCc2ccccc2)CC1

Formula: C18H19BrClN3O2S2

MW: 488.86 | LogP: 3.48

TPSA: 52.65

Patterns:

Ionizable base
Detail
ID 15 DB fairmol
2D structure

NMT-TY0601

ID 15

CC(=O)Nc1ccc(S(=O)(=O)Nc2c(N)[nH]c(SCc3ccccc3)nc2=O)cc1

Formula: C19H19N5O4S2

MW: 445.53 | LogP: 2.40

TPSA: 147.04

Patterns:

Ionizable base
Detail
ID 18 DB fairmol
2D structure

NMT-TY0958

ID 18

Nc1cccc(S(=O)(=O)Nc2c(N)nc(SCCCc3ccccc3)[nH]c2=O)c1

Formula: C19H21N5O3S2

MW: 431.54 | LogP: 2.46

TPSA: 143.96

Patterns:

Ionizable base
Detail
ID 19 DB fairmol
2D structure

KB_HAT_186

ID 19

O=c1[nH]c(NCCC[NH2+]Cc2cc(Br)cc(Br)c2)nc2ccsc12

Formula: C16H17Br2N4OS+

MW: 473.21 | LogP: 3.08

TPSA: 74.39

Patterns:

Ionizable base
Detail
ID 20 DB fairmol
2D structure

Z2940609369

ID 20

Oc1ccc(C[C@@H]2NCCc3cc(O)c(O)cc32)cc1

Formula: C16H17NO3

MW: 271.32 | LogP: 2.23

TPSA: 72.72

Patterns:

Ionizable base
Detail
ID 22 DB fairmol
2D structure

Z49894254

ID 22

CC(C)c1ccc(/C=[NH+]\N=c2/[nH+]c[nH]c3sc4c(c23)CCCC4)cc1

Formula: C20H24N4S+2

MW: 352.51 | LogP: 2.06

TPSA: 56.26

Patterns:

Ionizable base
Detail
ID 27 DB fairmol
2D structure

Z1889837352

ID 27

c1cc(CN2CCC[NH2+]CCNCCC[NH2+]CC2)ccc1CN1CCCNCCNCCCNCC1

Formula: C28H56N8+2

MW: 504.81 | LogP: -1.64

TPSA: 87.82

Patterns:

Ionizable base
Detail
ID 29 DB fairmol
2D structure

NMT-TY0558

ID 29

CC(=O)Nc1ccc(S(=O)(=O)Nc2c(O)[nH]c(N)nc2=O)cc1

Formula: C12H13N5O5S

MW: 339.33 | LogP: -0.18

TPSA: 167.27

Patterns:

Ionizable base
Detail
ID 31 DB fairmol
2D structure

OHD_TB2022_44

ID 31

Nc1nc(N)c2cc(CNc3cc(Cl)ccc3Cl)ccc2[nH+]1

Formula: C15H14Cl2N5+

MW: 335.22 | LogP: 3.13

TPSA: 91.10

Patterns:

Ionizable base
Detail
ID 34 DB fairmol
2D structure

OHD_Leishmania_407

ID 34

C[C@@H](c1cc(Cl)cc(Cl)c1)N(C)c1ncc2c(N)nc(N)[nH+]c2n1

Formula: C15H16Cl2N7+

MW: 365.25 | LogP: 2.51

TPSA: 108.09

Patterns:

Ionizable base
Detail
ID 37 DB fairmol
2D structure

OHD_Leishmania_3

ID 37

Nc1ccc(NCC[C@@H]2CCC[N@H+]3CCCC[C@H]23)c2c(=O)c3ccccc3sc12

Formula: C24H30N3OS+

MW: 408.59 | LogP: 3.65

TPSA: 59.56

Patterns:

Ionizable base
Detail
ID 62 DB fairmol
2D structure

OHD_TB2021_31

ID 62

NC(=[NH2+])Nc1ccc2[nH]c(-c3ccccc3Oc3ccccc3)nc2c1

Formula: C20H18N5O+

MW: 344.40 | LogP: 2.51

TPSA: 101.55

Patterns:

Ionizable base
Detail
ID 68 DB fairmol
2D structure

OSA_Lib_326

ID 68

Nc1ccc([C@@H]2C[C@]3([NH+]4CCCC4)C[NH2+]C[C@H]2[C@H](c2ccccc2)C3)cc1

Formula: C24H33N3+2

MW: 363.55 | LogP: 1.54

TPSA: 47.07

Patterns:

Ionizable base
Detail
ID 77 DB fairmol
2D structure

Z55700194

ID 77

N#Cc1c(N)n(CCc2ccc(Cl)cc2Cl)c2nc3ccccc3nc12

Formula: C19H13Cl2N5

MW: 382.25 | LogP: 4.59

TPSA: 80.52

Patterns:

Ionizable base
Detail
ID 78 DB fairmol
2D structure

TC490

ID 78

Cc1cc(C)c2c(c1C)O[C@@](C)(c1cn(CCc3cc(O)cc(O)c3)nn1)CN2

Formula: C22H26N4O3

MW: 394.48 | LogP: 3.58

TPSA: 92.43

Patterns:

Ionizable base
Detail
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