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Supplier information; Representations
Properties:xLogP, ap & p desolvation, HBD,HBA,Charge,Mwt,NRB
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Structure

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1028372
 
#1

eMolecules: 46472660, 1308713
Molport: MolPort-001-955-405
Scientific Exchange (make on demand): POD_40/0536
AKOS: AKOS000528345
Alinda: IBS-L0126401...19 total

ref: mol2, SDF, SMILES, flexibase
4.26,9.13,-16.89,2,7,0, 316.409, 4

Similar to: 34523779,
3095567
 
#2

eMolecules: 46472659, 6751769
Molport: MolPort-002-700-888, MolPort-019-780-701
Scientific Exchange (make on demand): POD_28/0138
AKOS: AKOS001705237
BioBlocks: A1678/0071602...22 total

ref: mol2, SDF, SMILES, flexibase
6.47,1.33,-19.68,1,5,0, 410.473, 7

Similar to: 32189074, 33764563, 33764564, 33773359, 33773360, ... 7 in total.
714502
 
#3

eMolecules: 6751767
Molport: MolPort-002-700-887, MolPort-019-724-770
AKOS: AKOS001707273
BioBlocks: A1678/0071593
ChemDiv: 8008-1593...17 total

ref: mol2, SDF, SMILES, flexibase
4.56,-1.23,-23.62,1,4,0, 371.465, 5

Similar to: 5772388, 8406046, 38424063, 38545281, 38758636, ... 16 in total.
1059339
 
#4

eMolecules: 6751755
Molport: MolPort-002-700-881
AKOS: AKOS001708375
BioBlocks: A1678/0071585
ChemBridge: 11668214...18 total

ref: mol2, SDF, SMILES, flexibase
5.31,-0.28,-11.26,1,4,0, 402.519, 4

Similar to: 21715729, 21715731, 39227953, 39228159, ... 4 in total.
1059341
 
#5

eMolecules: 6751755
Molport: MolPort-002-700-881
AKOS: AKOS001708375
BioBlocks: A1678/0071585
ChemBridge: 11668214...18 total

ref: mol2, SDF, SMILES, flexibase
5.31,-0.29,-11.46,1,4,0, 402.519, 4

Similar to: 21715729, 21715731, 39227953, 39228159, ... 4 in total.
66616
 
#6

eMolecules: 26769951
Molport: MolPort-019-749-531, MolPort-002-700-880
AKOS: AKOS001708374
BioBlocks: A1678/0071584
ChemDiv: 8008-1584...19 total

ref: mol2, SDF, SMILES, flexibase
3.77,6.36,-14.61,2,6,0, 335.363, 4
hi: mol2, SDF, SMILES, flexibase
3.77,7.13,-59.09,1,6,-1, 334.355, 4
712952
 
#7

eMolecules: 2339273
Molport: MolPort-002-137-660
AKOS: AKOS001708196
BioBlocks: A1677/0071570
ChemDiv: 8008-1570...18 total

ref: mol2, SDF, SMILES, flexibase
4.41,1.42,-9.18,0,6,0, 408.151, 2

Similar to: 31695137,
712916
 
#8

eMolecules: 1241714
Molport: MolPort-001-021-470
Scientific Exchange: M0745
Scientific Exchange (make on demand): Z-067880
AKOS: AKOS000485492...23 total

ref: mol2, SDF, SMILES, flexibase
4.73,1.01,-11.02,0,7,0, 405.454, 6
712910
 
#9

eMolecules: 2051067
Molport: MolPort-001-021-463
Scientific Exchange (make on demand): Z-067870
AKOS: AKOS000485506
Alinda: IBS-L0059202...24 total

ref: mol2, SDF, SMILES, flexibase
4.53,-1.47,-12.84,2,4,0, 403.223, 3

Similar to: 10118473,
1031229
 
#10

eMolecules: 26526252
Molport: MolPort-002-700-877
Scientific Exchange (make on demand): Z-092926
AKOS: AKOS001708002
BioBlocks: A1677/0071566...17 total

ref: mol2, SDF, SMILES, flexibase
5.82,13.38,-7.41,0,2,0, 312.416, 3
lo: mol2, SDF, SMILES, flexibase
5.82,12.64,-35.88,1,2,1, 313.424, 3

Similar to: 13004107, 32271364, 39279012, 39279013, ... 4 in total.
2186958
 
#11

eMolecules: 1084903
Molport: MolPort-001-022-393
Scientific Exchange (make on demand): Z-069304
AKOS: AKOS000484453
Alinda: IBS-L0058449...21 total

ref: mol2, SDF, SMILES, flexibase
5.63,-2,-3.83,0,2,0, 346.499, 4
208462
 
#12

eMolecules: 25873645
Molport: MolPort-019-749-137
AKOS: AKOS001709275
BioBlocks: A1677/0071556
ChemDiv: 8008-1556...23 total

ref: mol2, SDF, SMILES, flexibase
3.94,3.86,-14.04,0,4,0, 322.36, 4

Similar to: 12946351, 16954099,
51709
 
#13

eMolecules: 1283082
Molport: MolPort-001-948-562
AKOS: AKOS000598761
Asinex: BAS00848863
BioBlocks: A1677/0071555...15 total

ref: mol2, SDF, SMILES, flexibase
5.86,2.31,-12.58,0,3,0, 347.421, 3

Similar to: 356148, 34635116,
1436623
 
#14

eMolecules: 6751733
Molport: MolPort-002-700-872
BioBlocks: A1677/0071550
Chemical Block: A1677/0071550
Mcule: MCULE-9093629859...11 total

ref: mol2, SDF, SMILES, flexibase
1.94,2.96,-18.29,0,8,0, 367.39, 5
832621
 
#15

eMolecules: 1272143
Molport: MolPort-001-901-644
AKOS: AKOS000597158
BioBlocks: A1677/0071548
ChemDiv: 8008-1548...15 total

ref: mol2, SDF, SMILES, flexibase
4.92,2.3,-10.66,0,6,0, 386.473, 5

Similar to: 33752892, 33752893, 33752894, 33752895, 33753032, ... 44 in total.
832622
 
#16

eMolecules: 1272143
Molport: MolPort-001-901-644
AKOS: AKOS000597158
BioBlocks: A1677/0071548
ChemDiv: 8008-1548...15 total

ref: mol2, SDF, SMILES, flexibase
4.92,2.23,-10.69,0,6,0, 386.473, 5

Similar to: 33752892, 33752893, 33752894, 33752895, 33753032, ... 44 in total.
66612
 
#17

eMolecules: 1681393
Molport: MolPort-000-900-867
Scientific Exchange: Z-074254
AKOS: AKOS001709011
BioBlocks: A1677/0071545...20 total

ref: mol2, SDF, SMILES, flexibase
2.52,-0.04,-10.86,1,6,0, 317.418, 5

Similar to: 7096438, 7340012, 7340016, 7340017, 7340019, ... 6 in total.
66602
 
#18

eMolecules: 1430328
Molport: MolPort-001-991-412
Scientific Exchange (make on demand): X-082551
AKOS: AKOS000550486
Asinex: BAS03386080...21 total

ref: mol2, SDF, SMILES, flexibase
3.19,1,-13.19,1,5,0, 316.279, 4
66606
 
#19

eMolecules: 1430328
Molport: MolPort-001-991-412
Scientific Exchange (make on demand): X-082551
AKOS: AKOS000550486
Asinex: BAS03386080...21 total

ref: mol2, SDF, SMILES, flexibase
3.19,1.01,-13.17,1,5,0, 316.279, 4
714615
 
#20

eMolecules: 1456063
Molport: MolPort-001-998-188
Scientific Exchange (make on demand): X-082607
AKOS: AKOS000597949
Asinex: BAS04844300...17 total

ref: mol2, SDF, SMILES, flexibase
4.67,1.77,-6.44,1,4,0, 376.378, 4

Similar to: 714616,
714616
 
#21

eMolecules: 1456063
Molport: MolPort-001-998-188
Scientific Exchange (make on demand): X-082607
AKOS: AKOS000597949
Asinex: BAS04844300...17 total

ref: mol2, SDF, SMILES, flexibase
4.67,1.79,-6.5,1,4,0, 376.378, 4

Similar to: 714615,
714463
 
#22

eMolecules: 1248309
Molport: MolPort-001-939-971
Scientific Exchange (make on demand): Z-084720
AKOS: AKOS000592330
Asinex: BAS00607581...14 total

ref: mol2, SDF, SMILES, flexibase
5.39,0.85,-16.88,0,4,0, 403.931, 7

Similar to: 866283, 34965811,
714449
 
#23

eMolecules: 1248333
Molport: MolPort-001-939-982
Scientific Exchange (make on demand): Z-084908
AKOS: AKOS001710050
BioBlocks: A1677/0071532...19 total

ref: mol2, SDF, SMILES, flexibase
3.95,9.92,-19.85,0,5,0, 391.876, 6

Similar to: 866297,
66594
 
#24

eMolecules: 6751715
Molport: MolPort-002-700-863
AKOS: AKOS001709949
BioBlocks: A1676/0071527
ChemDiv: 8008-1527...13 total

ref: mol2, SDF, SMILES, flexibase
1.57,-1.6,-9.54,3,5,0, 287.241, 2
66596
 
#25

eMolecules: 6751715
Molport: MolPort-002-700-863
AKOS: AKOS001709949
BioBlocks: A1676/0071527
ChemDiv: 8008-1527...13 total

ref: mol2, SDF, SMILES, flexibase
1.57,-1.48,-9.55,3,5,0, 287.241, 2
4045595
 
#26

eMolecules: 1577842
Scientific Exchange (make on demand): Z-090675
AKOS: AKOS000423888
BioBlocks: A1676/0071524
ChemBridge: 5674407...28 total

ref: mol2, SDF, SMILES, flexibase
3.31,0.42,-12.51,0,6,0, 381.766, 3
66588
 
#27

eMolecules: 2019551
Molport: MolPort-002-178-745
Scientific Exchange (make on demand): Z-091142
AKOS: AKOS001709760
BioBlocks: A1676/0071521...25 total

ref: mol2, SDF, SMILES, flexibase
2.42,-1.8,-46.91,1,6,1, 279.345, 2

Similar to: 32188974,
968995
 
#28

eMolecules: 6679896
Molport: MolPort-002-700-861
BioBlocks: A1676/0071518
Chemical Block: A1676/0071518
Mcule: MCULE-9980911916...12 total

ref: mol2, SDF, SMILES, flexibase
2.11,8.78,-15.66,0,8,0, 407.426, 4
968994
 
#29

eMolecules: 6689424
Molport: MolPort-002-700-860
AKOS: AKOS001709759
BioBlocks: A1676/0071517
ChemDiv: 8008-1517...15 total

ref: mol2, SDF, SMILES, flexibase
-0.53,6.65,-18.95,0,8,0, 359.382, 4
2025346
 
#30

eMolecules: 2158181
Molport: MolPort-001-024-374
Scientific Exchange (make on demand): Z-090933
AKOS: AKOS000340666
BioBlocks: A1676/0071515...23 total

ref: mol2, SDF, SMILES, flexibase
1.64,-2.15,-6.73,2,4,0, 252.701, 3
2971008
 
#31

eMolecules: 1350977
Molport: MolPort-001-967-590
Scientific Exchange (make on demand): Z-073816
AKOS: AKOS000457503
BioBlocks: A1676/0071511...16 total

ref: mol2, SDF, SMILES, flexibase
1.61,5.47,-23.67,1,6,0, 348.355, 6
1303221
 
#32

eMolecules: 1456241, 46519622
Molport: MolPort-001-022-987
Scientific Exchange: Z-073716
AKOS: AKOS005626994, AKOS000597732
Asinex: BAS04848683...27 total

ref: mol2, SDF, SMILES, flexibase
3.65,10.61,-11.76,1,6,0, 365.776, 2

Similar to: 717054,
714444
 
#33

Molport: MolPort-001-900-333
Scientific Exchange (make on demand): Z-085005
AKOS: AKOS001623077
BioBlocks: A1676/0071496
ChemDiv: 3405-0040...16 total

ref: mol2, SDF, SMILES, flexibase
3.31,0.17,-17.99,0,5,0, 385.485, 8

Similar to: 885704,
2188409
 
#34

Molport: MolPort-001-940-003
AKOS: AKOS000592522
Asinex: BAS00608015
BioBlocks: A1676/0071494
ChemDiv: 3405-0171...19 total

ref: mol2, SDF, SMILES, flexibase
4.93,13.85,-16.64,0,9,0, 415.427, 7
49361
 
#35

eMolecules: 1333640
Molport: MolPort-001-019-075
Scientific Exchange (make on demand): Z-023957
AKOS: AKOS000641280
Asinex: BAS01367164...20 total

ref: mol2, SDF, SMILES, flexibase
2.28,3.07,-8.62,0,6,0, 276.292, 6

Similar to: 4188360,
4188360
 
#36

eMolecules: 1333640
Molport: MolPort-001-019-075
Scientific Exchange (make on demand): Z-023957
AKOS: AKOS000641280
Asinex: BAS01367164...20 total

ref: mol2, SDF, SMILES, flexibase
2.28,3.08,-8.53,0,6,0, 276.292, 6

Similar to: 49361,
66585
 
#37

eMolecules: 1333636
Molport: MolPort-001-019-074
Scientific Exchange (make on demand): Z-023953
AKOS: AKOS000641244
Asinex: BAS01367160...20 total

ref: mol2, SDF, SMILES, flexibase
1.65,2.94,-9.17,0,6,0, 276.292, 5

Similar to: 4281876,
4281876
 
#38

eMolecules: 1333636
Molport: MolPort-001-019-074
Scientific Exchange (make on demand): Z-023953
AKOS: AKOS000641244
Asinex: BAS01367160...20 total

ref: mol2, SDF, SMILES, flexibase
1.65,2.89,-9.28,0,6,0, 276.292, 5

Similar to: 66585,
51707
 
#39

eMolecules: 1333630
Scientific Exchange (make on demand): Z-023948
AKOS: AKOS000641211
Asinex: BAS01367155
BioBlocks: A1676/0071489...20 total

ref: mol2, SDF, SMILES, flexibase
1.59,7.23,-8.27,0,5,0, 246.266, 4

Similar to: 4281874, 5283387, 5283388,
4281874
 
#40

eMolecules: 1333630
Scientific Exchange (make on demand): Z-023948
AKOS: AKOS000641211
Asinex: BAS01367155
BioBlocks: A1676/0071489...20 total

ref: mol2, SDF, SMILES, flexibase
1.59,7.23,-8.39,0,5,0, 246.266, 4

Similar to: 5283387, 5283388, 51707,
66583
 
#41

eMolecules: 1280222
Molport: MolPort-001-947-713
Scientific Exchange: POD_92/0798
AKOS: AKOS000641741
Asinex: BAS00831409...24 total

ref: mol2, SDF, SMILES, flexibase
4.07,9.16,-7.75,2,3,0, 328.213, 3
lo: mol2, SDF, SMILES, flexibase
4.07,9.28,-31.8,3,3,1, 329.221, 3

Similar to: 6477786, 6477792, 26512202, 26512206, ... 4 in total.
1059333
 
#42

eMolecules: 6751701
Molport: MolPort-002-700-855
Scientific Exchange (make on demand): POD_92/0890
AKOS: AKOS001709099
BioBlocks: A1676/0071481...16 total

ref: mol2, SDF, SMILES, flexibase
4.28,-4.8,-15.12,2,5,0, 386.527, 5
2976863
 
#43

eMolecules: 2142289
Molport: MolPort-002-194-867
BioBlocks: A1675/0071478
ChemBridge: 6370215
Chemical Block: A1675/0071478...15 total

ref: mol2, SDF, SMILES, flexibase
5.79,1.56,-8.16,1,2,0, 387.91, 2

Similar to: 2976864, 1436638, 1436636, 1436637, 1436635, ... 5 in total.
2976864
 
#44

eMolecules: 2142289
Molport: MolPort-002-194-867
BioBlocks: A1675/0071478
ChemBridge: 6370215
Chemical Block: A1675/0071478...15 total

ref: mol2, SDF, SMILES, flexibase
5.79,1.55,-8.32,1,2,0, 387.91, 2

Similar to: 2976863, 1436638, 1436636, 1436637, 1436635, ... 5 in total.
711525
 
#45

eMolecules: 2348533
Molport: MolPort-002-144-956
Scientific Exchange (make on demand): X-007748
AKOS: AKOS002118969
BioBlocks: A1675/0071471...20 total

ref: mol2, SDF, SMILES, flexibase
2.64,-1.91,-12.23,2,7,0, 364.155, 4
66581
 
#46

eMolecules: 1229505
Scientific Exchange (make on demand): X-044086
AKOS: AKOS000376105
Alinda: IVK/8135098
Asinex: BAS00483125...29 total

ref: mol2, SDF, SMILES, flexibase
0.21,6.78,-17.45,1,8,0, 233.187, 3
66578
 
#47

eMolecules: 454353
Molport: MolPort-019-764-546, MolPort-002-700-850
Scientific Exchange (make on demand): Z-085385
AKOS: AKOS003222550
Aldrich CPR: L271535|ALDRICH...21 total

ref: mol2, SDF, SMILES, flexibase
3.18,0.64,-17,1,6,0, 328.368, 7

Similar to: 6457908, 8518025, 8518182, 8518185, 8518330, ... 12 in total.
896558
 
#48

eMolecules: 1417968
Scientific Exchange (make on demand): Z-082329
AKOS: AKOS000641122
Alinda: IBS-L0036720
Asinex: BAS03145509...22 total

ref: mol2, SDF, SMILES, flexibase
1.62,-2.22,-45.56,3,7,1, 390.533, 6

Similar to: 7075563, 14311345, 23381925, 23381926, 23381971, ... 6 in total.
66574
 
#49

ChemBridge: 6499804
Chemical Block: A1675/0071458
Pharmeks: PHAR128642
ref: mol2, SDF, SMILES, flexibase
1.96,-0.28,-39.49,1,6,1, 349.48, 5

Similar to: 14302903, 23325014,
51706
 
#50

eMolecules: 1350951
Molport: MolPort-001-022-725
Scientific Exchange (make on demand): Z-071490
AKOS: AKOS000641415
Alinda: IBS-L0036704...18 total

ref: mol2, SDF, SMILES, flexibase
3.20,-0.65,-22.27,1,4,0, 340.448, 5

Similar to: 6598429, 31891638, 36185051, 37035574, 42715529, ... 5 in total.
51705
 
#51

eMolecules: 1681269
Molport: MolPort-001-620-014
Scientific Exchange (make on demand): Z-073744
AKOS: AKOS003666141
BioBlocks: A1675/0071446...18 total

ref: mol2, SDF, SMILES, flexibase
2.52,-0.84,-14.69,1,4,0, 314.341, 1

Similar to: 6996789, 6996795, 38558421, 38558422, ... 4 in total.
51704
 
#52

eMolecules: 1681269
Molport: MolPort-001-620-014
Scientific Exchange (make on demand): Z-073744
AKOS: AKOS003666141
BioBlocks: A1675/0071446...18 total

ref: mol2, SDF, SMILES, flexibase
2.52,-0.78,-11.02,1,4,0, 314.341, 1

Similar to: 6996789, 6996795, 38558421, 38558422, ... 4 in total.
314309
 
#53

eMolecules: 836951, 6398985
Scientific Exchange (make on demand): Z-074395, Q-056762
AKOS: AKOS000100196, AKOS001605197
Aldrich CPR: TMT00339|ALDRICH
Alinda: IVK/1029082...55 total

ref: mol2, SDF, SMILES, flexibase
2.39,8.11,-9.95,1,3,0, 219.313, 2
mid: mol2, SDF, SMILES, flexibase
3.11,8.21,-47.26,0,3,-1, 218.305, 2
107530
 
#54

eMolecules: 2302615, 3802941
Molport: MolPort-002-118-642, MolPort-001-593-152
Scientific Exchange (make on demand): M-498546, Z-074394
AKOS: AKOS003325797, AKOS001605196
Aldrich CPR: TMT00341|ALDRICH...44 total

ref: mol2, SDF, SMILES, flexibase
2.37,7.69,-11.67,1,4,0, 249.339, 4
mid: mol2, SDF, SMILES, flexibase
3.10,7.53,-45.85,0,4,-1, 248.331, 4

Similar to: 39642674,
714690
 
#55

eMolecules: 27036966
Molport: MolPort-001-023-029
Scientific Exchange (make on demand): Z-073898
AKOS: AKOS001709560
BioBlocks: A1675/0071438...16 total

ref: mol2, SDF, SMILES, flexibase
6.02,12.45,-10.19,0,4,0, 409.272, 3
714261
 
#56

eMolecules: 2176058
Molport: MolPort-002-225-193
Scientific Exchange (make on demand): X-037566
AKOS: AKOS001599650
BioBlocks: A1674/0071430...20 total

ref: mol2, SDF, SMILES, flexibase
4.39,-0.08,-19.08,1,4,0, 378.226, 3
2188688
 
#57

Molport: MolPort-001-023-143
Scientific Exchange (make on demand): Z-074453
AKOS: AKOS001709097
BioBlocks: A1674/0071418
ChemDiv: 8008-1418...17 total

ref: mol2, SDF, SMILES, flexibase
2.96,2.73,-13.18,0,9,0, 327.252, 4

Similar to: 16754709,
51702
 
#58

eMolecules: 4371173
Molport: MolPort-002-537-672
AKOS: AKOS001709009
BioBlocks: A1674/0071415
Chemical Block: A1674/0071415...15 total

ref: mol2, SDF, SMILES, flexibase
0.75,3.41,-127.7,0,7,-2, 231.167, 3

Similar to: 32206824,
2188547
 
#59

eMolecules: 6751677
Molport: MolPort-002-700-842
BioBlocks: A1674/0071413
Chemical Block: A1674/0071413
Mcule: MCULE-6298481809...17 total

ref: mol2, SDF, SMILES, flexibase
5.19,10.98,-7.19,1,2,0, 334.246, 4
2188548
 
#60

eMolecules: 6751677
Molport: MolPort-002-700-842
BioBlocks: A1674/0071413
Chemical Block: A1674/0071413
Mcule: MCULE-6298481809...17 total

ref: mol2, SDF, SMILES, flexibase
5.19,10.99,-6.92,1,2,0, 334.246, 4
2188549
 
#61

eMolecules: 6751677
Molport: MolPort-002-700-842
BioBlocks: A1674/0071413
Chemical Block: A1674/0071413
Mcule: MCULE-6298481809...17 total

ref: mol2, SDF, SMILES, flexibase
5.19,11,-7.03,1,2,0, 334.246, 4
2188550
 
#62

eMolecules: 6751677
Molport: MolPort-002-700-842
BioBlocks: A1674/0071413
Chemical Block: A1674/0071413
Mcule: MCULE-6298481809...17 total

ref: mol2, SDF, SMILES, flexibase
5.19,10.98,-7.16,1,2,0, 334.246, 4
4380435
 
#63

eMolecules: 1242472
Molport: MolPort-001-938-514
AKOS: AKOS000590711
Asinex: BAS00551979
BioBlocks: A1674/0071401...19 total

ref: mol2, SDF, SMILES, flexibase
4.13,1.46,-6.85,0,4,0, 335.403, 2

Similar to: 5091612, 13784742, 17031963, 17031965, ... 6 in total.
49360
 
#64

eMolecules: 1242472
Molport: MolPort-001-938-514
AKOS: AKOS000590711
Asinex: BAS00551979
BioBlocks: A1674/0071401...19 total

ref: mol2, SDF, SMILES, flexibase
4.13,1.54,-10,0,4,0, 335.403, 2

Similar to: 565078, 4380435, 5091612, 17031963, 17031965, ... 5 in total.
3664637
 
#65

eMolecules: 1339473
AKOS: AKOS000507165
Asinex: BAS01508500
BioBlocks: A1674/0071388
Chemical Block: A1674/0071388...18 total

ref: mol2, SDF, SMILES, flexibase
3.35,7.78,-12.89,2,4,0, 368.502, 8
49358
 
#66

ChemBridge: 6874344
Chemical Block: A1674/0071387
IBScreen: STOCK3S-45300
Pharmeks: PHAR030575
ref: mol2, SDF, SMILES, flexibase
4.67,0.47,-39.46,1,3,1, 331.867, 5
862770
 
#67

eMolecules: 1339475
AKOS: AKOS000507166
BioBlocks: A1674/0071385
ChemDiv: 8008-1385
Chemical Block: A1674/0071385...16 total

ref: mol2, SDF, SMILES, flexibase
3.89,-2.1,-13.39,2,4,0, 382.529, 7
267884
 
#68

eMolecules: 6751673
Molport: MolPort-002-700-836
BioBlocks: A1674/0071383
Chemical Block: A1674/0071383
Mcule: MCULE-9115230012...14 total

ref: mol2, SDF, SMILES, flexibase
2.93,1.37,-7.05,0,3,0, 256.088, 1

Similar to: 34370965,
4380510
 
#69

eMolecules: 1455591
Molport: MolPort-001-998-013
Scientific Exchange (make on demand): X-037550
AKOS: AKOS000598022
Asinex: BAS04829636...18 total

ref: mol2, SDF, SMILES, flexibase
3.62,-1.31,-14.33,1,5,0, 340.452, 3

Similar to: 4881439, 20440496, 33691882,
49353
 
#70

eMolecules: 1511618
Molport: MolPort-002-014-550
Scientific Exchange (make on demand): X-003411
AKOS: AKOS000645314
Asinex: BAS08979419...22 total

ref: mol2, SDF, SMILES, flexibase
4.22,1.39,-12.98,0,3,0, 303.361, 3

Similar to: 5365830, 37586,
3664634
 
#71

eMolecules: 1227385
Molport: MolPort-001-889-816
AKOS: AKOS000615282
Asinex: BAS00474283
BioBlocks: A1673/0071372...17 total

ref: mol2, SDF, SMILES, flexibase
0.47,2.62,-12.68,3,7,0, 293.323, 6
2188958
 
#72

eMolecules: 1264338
Molport: MolPort-001-943-895
AKOS: AKOS000656366
Asinex: BAS00704154
BioBlocks: A1673/0071369...16 total

ref: mol2, SDF, SMILES, flexibase
5.98,0.4,-13.73,1,4,0, 416.344, 4

Similar to: 39329463, 39724197, 39724201,
2188937
 
#73

eMolecules: 2123608
Molport: MolPort-002-182-909
AKOS: AKOS001709559
BioBlocks: A1673/0071359
ChemBridge: 6071650...21 total

ref: mol2, SDF, SMILES, flexibase
4.27,9.49,-8.07,1,2,0, 324.182, 3
2188938
 
#74

eMolecules: 2123608
Molport: MolPort-002-182-909
AKOS: AKOS001709559
BioBlocks: A1673/0071359
ChemBridge: 6071650...21 total

ref: mol2, SDF, SMILES, flexibase
4.27,9.5,-7.53,1,2,0, 324.182, 3
66555
 
#75

eMolecules: 6751647
Molport: MolPort-002-700-823
Scientific Exchange (make on demand): X-082491
AKOS: AKOS001709182
BioBlocks: A1673/0071348...16 total

ref: mol2, SDF, SMILES, flexibase
5.15,1.06,-16.61,1,3,0, 312.372, 2

Similar to: 32255999, 36376870,
49352
 
#76

eMolecules: 6751645
Molport: MolPort-002-700-822
AKOS: AKOS001709095
BioBlocks: A1673/0071346
Chemical Block: A1673/0071346...12 total

ref: mol2, SDF, SMILES, flexibase
1.62,0.45,-14.11,2,4,0, 260.268, 2
1059324
 
#77

eMolecules: 6751643
Molport: MolPort-002-700-821
BioBlocks: A1673/0071345
ChemDiv: 8008-1345
Chemical Block: A1673/0071345...13 total

ref: mol2, SDF, SMILES, flexibase
2.91,-4.76,-20.44,1,8,0, 401.279, 3
49350
 
#78

eMolecules: 4438816
AKOS: AKOS003652400
BioBlocks: A1673/0071343
ChemDiv: 8008-1343
Chemical Block: A1673/0071343...19 total

ref: mol2, SDF, SMILES, flexibase
0.77,-0.42,-13.6,1,7,0, 287.275, 3

Similar to: 4104472, 4104473, 4104474,
4104474
 
#79

eMolecules: 4438816
AKOS: AKOS003652400
BioBlocks: A1673/0071343
ChemDiv: 8008-1343
Chemical Block: A1673/0071343...19 total

ref: mol2, SDF, SMILES, flexibase
0.77,-0.67,-9.26,1,7,0, 287.275, 3

Similar to: 4104472, 4104473, 49350,
4104473
 
#80

eMolecules: 4438816
AKOS: AKOS003652400
BioBlocks: A1673/0071343
ChemDiv: 8008-1343
Chemical Block: A1673/0071343...19 total

ref: mol2, SDF, SMILES, flexibase
0.77,-0.33,-9.24,1,7,0, 287.275, 3

Similar to: 4104474, 4104472, 49350,
4104472
 
#81

eMolecules: 4438816
AKOS: AKOS003652400
BioBlocks: A1673/0071343
ChemDiv: 8008-1343
Chemical Block: A1673/0071343...19 total

ref: mol2, SDF, SMILES, flexibase
0.77,-0.42,-13.51,1,7,0, 287.275, 3

Similar to: 4104473, 4104474, 49350,
205614
 
#82

eMolecules: 1405452
Molport: MolPort-001-985-519
AKOS: AKOS000603616
Asinex: BAS02876092
BioBlocks: A1673/0071341...19 total

ref: mol2, SDF, SMILES, flexibase
4.66,10.52,-18.62,0,3,0, 297.72, 1
6057164
 
#83

eMolecules: 27036960
Molport: MolPort-002-700-817
Scientific Exchange (make on demand): H-098143
AKOS: AKOS001708920
Aldrich CPR: PH003788|ALDRICH...19 total

ref: mol2, SDF, SMILES, flexibase
3.27,8.2,-16.31,1,8,0, 382.401, 6
hi: mol2, SDF, SMILES, flexibase
3.27,6.96,-50.77,0,8,-1, 381.393, 6
hi: mol2, SDF, SMILES, flexibase
3.27,8.32,-46.57,0,8,-1, 381.393, 6
837447
 
#84

eMolecules: 1279744
Molport: MolPort-001-902-060
AKOS: AKOS000729627
BioBlocks: A1673/0071335
ChemDiv: 2201-0155...16 total

ref: mol2, SDF, SMILES, flexibase
4.43,-5.24,-15.05,0,6,0, 383.473, 4

Similar to: 35511708, 35511709,
66553
 
#85

eMolecules: 4007696
Molport: MolPort-001-017-641
Scientific Exchange (make on demand): POD_97/0147
AKOS: AKOS001484920
Alinda: IVK/8020301...24 total

ref: mol2, SDF, SMILES, flexibase
2.03,3.35,-7.71,1,6,0, 325.264, 6

Similar to: 34560794,
2498388
 
#86

eMolecules: 6751631
Molport: MolPort-002-700-815
BioBlocks: A1672/0071328
Chemical Block: A1672/0071328
TimTec: ST4034733...11 total

ref: mol2, SDF, SMILES, flexibase
5.93,-1.91,-6.25,0,3,0, 328.824, 3
885727
 
#87

eMolecules: 1255590
Molport: MolPort-001-900-334
AKOS: AKOS001710148
BioBlocks: A1672/0071327
ChemDiv: 8008-1327...16 total

ref: mol2, SDF, SMILES, flexibase
3.29,1.72,-12.38,1,7,0, 379.294, 4
885730
 
#88

eMolecules: 1255590
Molport: MolPort-001-900-334
AKOS: AKOS001710148
BioBlocks: A1672/0071327
ChemDiv: 8008-1327...16 total

ref: mol2, SDF, SMILES, flexibase
3.29,1.65,-13.09,1,7,0, 379.294, 4
51696
 
#89

eMolecules: 1484338
Molport: MolPort-001-024-390
Scientific Exchange (make on demand): Z-091030
AKOS: AKOS000604983
Asinex: BAS06683897...26 total

ref: mol2, SDF, SMILES, flexibase
1.42,6.09,-22.27,1,5,0, 305.334, 3

Similar to: 30777303,
51697
 
#90

eMolecules: 1484338
Molport: MolPort-001-024-390
Scientific Exchange (make on demand): Z-091030
AKOS: AKOS000604983
Asinex: BAS06683897...26 total

ref: mol2, SDF, SMILES, flexibase
1.42,6.06,-17.62,1,5,0, 305.334, 3

Similar to: 30777303,
3664630
 
#91

eMolecules: 1272735
Molport: MolPort-001-946-206
Scientific Exchange (make on demand): Z-090929
AKOS: AKOS000597072
Asinex: BAS00758257...19 total

ref: mol2, SDF, SMILES, flexibase
0.85,3.7,-5.57,2,4,0, 232.283, 4

Similar to: 36782434, 36782435, 38717525, 38717526, 38717527, ... 7 in total.
3664629
 
#92

eMolecules: 1272735
Molport: MolPort-001-946-206
Scientific Exchange (make on demand): Z-090929
AKOS: AKOS000597072
Asinex: BAS00758257...19 total

ref: mol2, SDF, SMILES, flexibase
0.85,3.7,-5.58,2,4,0, 232.283, 4

Similar to: 3664630, 36782434, 36782435, 38717525, 38717526, ... 7 in total.
1023029
 
#93

eMolecules: 2401097
Molport: MolPort-001-022-935
Scientific Exchange (make on demand): Z-073566
AKOS: AKOS003601005
BioBlocks: A1672/0071302...19 total

ref: mol2, SDF, SMILES, flexibase
4.30,-1.18,-9.65,0,5,0, 384.435, 4

Similar to: 25766675, 25901150, 35903699, 38218133, 38254043, ... 5 in total.
51693
 
#94

eMolecules: 1022500
Molport: MolPort-001-022-994
Scientific Exchange (make on demand): Z-073727
AKOS: AKOS000566736
Asinex: BAS00801646...19 total

ref: mol2, SDF, SMILES, flexibase
4.19,5.36,-16.01,0,3,0, 288.35, 5

Similar to: 3663339, 38274144, 38274145,
51692
 
#95

eMolecules: 1022500
Molport: MolPort-001-022-994
Scientific Exchange (make on demand): Z-073727
AKOS: AKOS000566736
Asinex: BAS00801646...19 total

ref: mol2, SDF, SMILES, flexibase
4.19,5.36,-15.97,0,3,0, 288.35, 5

Similar to: 3663339, 38274144, 38274145,
2911356
 
#96

eMolecules: 6751622, 2090141
Molport: MolPort-002-160-907, MolPort-002-700-811
Scientific Exchange: X-030419
AKOS: AKOS001709660
BioBlocks: A1672/0071294...25 total

ref: mol2, SDF, SMILES, flexibase
7.59,0.7,-9.34,1,3,0, 394.499, 5
51691
 
#97

eMolecules: 6751621, 2017572
Molport: MolPort-002-117-302, MolPort-002-700-810
BioBlocks: A1672/0071293
ChemBridge: 5657490
Chemical Block: A1672/0071293...25 total

ref: mol2, SDF, SMILES, flexibase
4.50,0.57,-8.39,1,3,0, 282.368, 3
49344
 
#98

eMolecules: 1351059
Scientific Exchange (make on demand): Z-075200
AKOS: AKOS000808206
BioBlocks: A1672/0071289
Chemical Block: A1672/0071289...28 total

ref: mol2, SDF, SMILES, flexibase
3.49,7.21,-38.41,2,3,1, 291.802, 2
lo: mol2, SDF, SMILES, flexibase
3.49,7.56,-90.47,3,3,2, 292.81, 2

Similar to: 19891837,
66541
 
#99

eMolecules: 26816147
Molport: MolPort-002-700-801
Scientific Exchange (make on demand): Z-008586
AKOS: AKOS001708830
BioBlocks: A1671/0071277...16 total

ref: mol2, SDF, SMILES, flexibase
3.75,11.87,-14.45,0,4,0, 324.387, 4
1436619
 
#100

eMolecules: 26529612
Molport: MolPort-002-700-799
Scientific Exchange (make on demand): Z-008597
AKOS: AKOS001708739
BioBlocks: A1671/0071275...18 total

ref: mol2, SDF, SMILES, flexibase
4.95,14.34,-16,0,6,0, 368.396, 5

Similar to: 6665230,

Old detail retrieval took 1 seconds.

start 0 size 100

select distinct(s.sub_id),s.smiles from substance s, catalog_item ci, catalog c where s.sub_id = ci.sub_id_fk and ci.cat_id_fk = c.cat_id and c.free=1 and ( c.cat_id = 39 ) limit 0,100

Smiles were