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Supplier information; Representations
Properties:xLogP, ap & p desolvation, HBD,HBA,Charge,Mwt,NRB
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20494564
 
#1

Scientific Exchange: Z-026501
Scientific Exchange (make on demand): C-059800
ChemDB: 5798386
PubChem: 3958411, 17389421
ref: mol2, SDF, SMILES, flexibase
6.88,12.38,-16.21,1,7,0, 465.918, 6
6826130
 
#2

eMolecules: 3989799
Molport: MolPort-001-575-201
Scientific Exchange: M-188771
AKOS: AKOS003330919
Alinda: IVK/1269540...14 total

ref: mol2, SDF, SMILES, flexibase
0.97,4.19,-52.73,2,6,-1, 297.356, 6
5925388
 
#3

Scientific Exchange: K-028034
American Custom Chemicals Corp.: HCH0207151
ChemDB: 6404453
PubChem: 3283865, 9662708
ref: mol2, SDF, SMILES, flexibase
3.31,-0.41,-21.3,1,5,0, 317.776, 5

Similar to: 5925367,
5369805
 
#4

eMolecules: 45615827
Molport: MolPort-004-923-110
Scientific Exchange: Z-016582
AKOS: AKOS001424892
Enamine: Z283687156...9 total

ref: mol2, SDF, SMILES, flexibase
0.66,-0.58,-47.57,1,6,-1, 276.297, 4

Similar to: 22342993, 22342998, 27551940, 27551944, 28050456, ... 8 in total.
1822228
 
#5

eMolecules: 1821335
Scientific Exchange: T-099622
AKOS: AKOS001621297
IBScreen: STOCK1S-74004
Innovapharm: STT-00111804...18 total

ref: mol2, SDF, SMILES, flexibase
0.34,1.71,-19.14,3,8,0, 294.292, 3
hi: mol2, SDF, SMILES, flexibase
0.34,1.73,-40.03,2,8,-1, 293.284, 3
20381519
 
#6

Scientific Exchange: F-118588
PubChem: 28902227, 17125137
ref: mol2, SDF, SMILES, flexibase
3.09,9.56,-48.93,2,5,1, 362.567, 5
mid: mol2, SDF, SMILES, flexibase
3.09,9.42,-54.95,2,5,1, 362.567, 5
hi: mol2, SDF, SMILES, flexibase
3.09,7.09,-13.96,1,5,0, 361.559, 5
lo: mol2, SDF, SMILES, flexibase
3.09,11.96,-114.18,3,5,2, 363.575, 5
46156
 
#7

eMolecules: 3759598
Molport: MolPort-001-494-520
Scientific Exchange: R-079355
AKOS: AKOS000487049
Alinda: IBS-L0061523...17 total

ref: mol2, SDF, SMILES, flexibase
3.14,-0.16,-21.05,2,5,0, 325.752, 5
2305318
 
#8

eMolecules: 25807055
Scientific Exchange: K-063479
AKOS: AKOS000600563
American Custom Chemicals Corp.: CHM0271530
Asinex: BAS00881070...16 total

ref: mol2, SDF, SMILES, flexibase
2.07,0.78,-11.55,1,6,0, 331.368, 7

Similar to: 5701171, 6348217,
1176207
 
#9

eMolecules: 1383359
Molport: MolPort-001-978-271
Scientific Exchange: E-030465
AKOS: AKOS000627040
Asinex: BAS02243849...17 total

ref: mol2, SDF, SMILES, flexibase
4.53,1.8,-12.78,1,6,0, 366.348, 6

Similar to: 7949692,
5287464
 
#10

Scientific Exchange: POD_10/0119
ChemDB: 6406052
PubChem: 3394938
ref: mol2, SDF, SMILES, flexibase
-1.66,-6.26,-25.5,6,8,0, 164.121, 4
4704418
 
#11

eMolecules: 2032939
Molport: MolPort-001-601-739
Scientific Exchange: M-700506
AKOS: AKOS003346403
Alinda: IBS-0016557...18 total

ref: mol2, SDF, SMILES, flexibase
2.80,7.13,-13.48,1,6,0, 315.713, 4
hi: mol2, SDF, SMILES, flexibase
2.99,5.87,-35.37,0,6,-1, 314.705, 4
3149436
 
#12

Scientific Exchange: POD_04/0456
ChemDB: 6129222
PubChem: 3495256
ref: mol2, SDF, SMILES, flexibase
1.52,-4.03,-16.35,0,7,0, 328.353, 3
10474605
 
#13

eMolecules: 6895671, 20814740
Molport: MolPort-008-387-128, MolPort-004-851-548
Scientific Exchange: F-163075
AKOS: AKOS001481043
ChemBridge: 9139045...22 total

ref: mol2, SDF, SMILES, flexibase
1.28,3.6,-38.22,3,2,1, 180.271, 5

Similar to: 32008821, 37850041, 10474603,
439096
 
#14

eMolecules: 2085031
Molport: MolPort-001-620-462
Scientific Exchange: X-062322
AKOS: AKOS003238330
Alinda: IVK/6223912...16 total

ref: mol2, SDF, SMILES, flexibase
-0.38,-2.51,-12.4,1,6,0, 266.297, 4
1099675
 
#15

eMolecules: 952597
Molport: MolPort-001-622-012
Scientific Exchange: K-035146
AKOS: AKOS000550176
ChemDiv: 5586-3411...21 total

ref: mol2, SDF, SMILES, flexibase
2.43,7.1,-8.88,1,5,0, 365.429, 3
2221873
 
#16

eMolecules: 2763942
Molport: MolPort-002-329-110
Scientific Exchange: K-010219
AKOS: AKOS003231924
IBScreen: STOCK3S-62805...14 total

ref: mol2, SDF, SMILES, flexibase
6.21,2.05,-9.29,0,5,0, 412.869, 4
2932077
 
#17

Scientific Exchange: K-002592
AKOS: AKOS000408808
American Custom Chemicals Corp.: HCH0135575, HCH0202269
Labotest: LT01155880
Mcule: MCULE-3135520135...11 total

ref: mol2, SDF, SMILES, flexibase
3.72,-1.26,-6.69,1,4,0, 345.807, 4
1458728
 
#18

eMolecules: 1820793
Scientific Exchange: X-015708
AKOS: AKOS001698806
ChemDiv: 5750-3212
Innovapharm: STT-00111063...16 total

ref: mol2, SDF, SMILES, flexibase
5.63,4.13,-13.79,0,4,0, 368.388, 4

Similar to: 34461606,
2747154
 
#19

eMolecules: 26498169
Molport: MolPort-001-670-182
Scientific Exchange: K-013589
AKOS: AKOS005641213
American Custom Chemicals Corp.: HCH0276653...14 total

ref: mol2, SDF, SMILES, flexibase
5.79,5.35,-11.36,0,5,0, 393.414, 8

Similar to: 17095348,
4457846
 
#20

eMolecules: 24303590
Molport: MolPort-007-557-216, MolPort-019-738-277
Scientific Exchange: R-062854
AKOS: AKOS001615210
ChemDiv: 3132-0634...12 total

ref: mol2, SDF, SMILES, flexibase
2.81,4.58,-13.85,3,8,0, 359.345, 3
lo: mol2, SDF, SMILES, flexibase
2.81,5.59,-60.94,4,8,1, 360.353, 3

Similar to: 5095069,
20522838
 
#21

Scientific Exchange: C-089820
American Custom Chemicals Corp.: HCH0256503
ChemDB: 6403372
PubChem: 3571126, 9626224
ref: mol2, SDF, SMILES, flexibase
5.14,10.96,-18.75,2,6,0, 480.362, 9

Similar to: 33670632, 33670633, 33687903, 33687904, 33709640, ... 14 in total.
1078945
 
#22

eMolecules: 25966886
Molport: MolPort-002-285-100
Scientific Exchange: M-663300
ChemBridge: 7936942
Mcule: MCULE-4346986764...10 total

ref: mol2, SDF, SMILES, flexibase
3.05,2.14,-14.86,2,4,0, 364.396, 5
95925
 
#23

eMolecules: 2047597
Molport: MolPort-001-026-352
Scientific Exchange: mds0000219
Scientific Exchange (make on demand): X-004044
AKOS: AKOS000485631...21 total

ref: mol2, SDF, SMILES, flexibase
4.41,4.93,-9.65,3,5,0, 324.167, 3
mid: mol2, SDF, SMILES, flexibase
3.50,3.4,-36.49,4,5,1, 325.175, 4
mid: mol2, SDF, SMILES, flexibase
3.50,4.18,-30.71,3,5,0, 324.167, 4
mid: mol2, SDF, SMILES, flexibase
4.03,3.17,-48.37,2,5,-1, 323.159, 4
mid: mol2, SDF, SMILES, flexibase
4.41,5.7,-35.56,2,5,-1, 323.159, 3

Similar to: 516351, 6451672,
8694359
 
#24

eMolecules: 2089545, 6761669
Molport: MolPort-002-160-533, MolPort-002-702-638
Scientific Exchange: X-029942
AKOS: AKOS001736506
BioBlocks: A1827/0077122...21 total

ref: mol2, SDF, SMILES, flexibase
7.46,0.76,-17.3,1,6,0, 489.556, 6
4747449
 
#25

eMolecules: 1554103, 46533837
Scientific Exchange: M-953843
AKOS: AKOS005694973, AKOS000613536
IBScreen: STOCK5S-17670
Innovapharm: STT-00186100...22 total

ref: mol2, SDF, SMILES, flexibase
4.98,1.6,-9.48,1,6,0, 397.434, 5
1438331
 
#26

eMolecules: 6789467
Molport: MolPort-002-767-388
Scientific Exchange: Q-032520
AKOS: AKOS005395630
Labotest: LT02089635...14 total

ref: mol2, SDF, SMILES, flexibase
2.17,-1.19,-13.85,0,3,0, 256.377, 2

Similar to: 32149438, 36611921,
13142366
 
#27

Scientific Exchange: L16/V-033
BindingDB.org: 49333
ChEMBL12: CHEMBL1362938
ChEMBL19: CHEMBL1362938
ChemDB: 4277629...8 total

ref: mol2, SDF, SMILES, flexibase
2.56,8.12,-13.55,0,5,0, 265.32, 3
3172181
 
#28

Scientific Exchange: L19/LTRi-566
ChemDB: 6405311
PubChem: 3506925, 12546347
ref: mol2, SDF, SMILES, flexibase
4.33,-0.15,-13.94,2,6,0, 396.487, 7
863609
 
#29

eMolecules: 1343268
Molport: MolPort-001-965-516
Scientific Exchange: K-001693
AKOS: AKOS000585661
Asinex: BAS01555615...12 total

ref: mol2, SDF, SMILES, flexibase
2.18,-2.74,-14.46,2,4,0, 383.214, 4
4450302
 
#30

eMolecules: 1487562
Molport: MolPort-000-920-742
Scientific Exchange: ZV-0330
AKOS: AKOS000664242
Asinex: BAS06899611...13 total

ref: mol2, SDF, SMILES, flexibase
4.26,1.71,-11.44,0,3,0, 340.492, 4

Similar to: 33748310, 4357777, 4357797,
1216131
 
#31

eMolecules: 1344524
Molport: MolPort-001-965-952
Scientific Exchange: X-094008
AKOS: AKOS000575200
Asinex: BAS01580583...16 total

ref: mol2, SDF, SMILES, flexibase
4.22,0.72,-14.46,1,4,0, 366.273, 4

Similar to: 10267104, 10267174, 10267197,
3469054
 
#32

Scientific Exchange: R-025488
American Custom Chemicals Corp.: HCH0267647
Mcule: MCULE-4811039511
ChemDB: 6381274
PubChem: 6907453...7 total

ref: mol2, SDF, SMILES, flexibase
3.04,0.83,-20.98,1,8,0, 331.259, 4

Similar to: 3475343, 4784529, 7894151,
20534039
 
#33

eMolecules: 7666409
Scientific Exchange: T-014016
AKOS: AKOS003268972
ChemDiv: 3109-1775
Mcule: MCULE-4818382805...12 total

ref: mol2, SDF, SMILES, flexibase
6.08,10.57,-19.58,2,9,0, 475.464, 5
lo: mol2, SDF, SMILES, flexibase
6.08,10.99,-46.36,3,9,1, 476.472, 5
3016626
 
#34

eMolecules: 1462085
Molport: MolPort-001-999-806
Scientific Exchange: POD_90/0526
AKOS: AKOS000650641
Alinda: IBS-L0146705...17 total

ref: mol2, SDF, SMILES, flexibase
2.62,2.02,-12.77,1,4,0, 287.266, 3

Similar to: 6331369, 31564588, 31564617, 31564728, 31564730, ... 23 in total.
846346
 
#35

eMolecules: 1381811
Molport: MolPort-001-977-678
Scientific Exchange: K-012098
AKOS: AKOS000549339
Asinex: BAS02237409...12 total

ref: mol2, SDF, SMILES, flexibase
3.46,4.34,-11.19,3,7,0, 392.802, 2
lo: mol2, SDF, SMILES, flexibase
3.46,4.55,-63.28,4,7,1, 393.81, 2
448524
 
#36

eMolecules: 2385924
Molport: MolPort-001-486-676
Scientific Exchange: X-073909
AKOS: AKOS003244885
Mcule: MCULE-7529208089...17 total

ref: mol2, SDF, SMILES, flexibase
2.83,3.34,-10.09,0,6,0, 289.287, 6
1089355
 
#37

Scientific Exchange: C-051246
Mcule: MCULE-6402863202
ChemDB: 5765151
PubChem: 9559075, 1273714
Mcule Make-on-demand: MCULE-6402863202...6 total

ref: mol2, SDF, SMILES, flexibase
4.85,1.42,-21.88,1,8,0, 391.431, 7

Similar to: 6221981, 6222639, 33741250, 33777657, ... 4 in total.
2880938
 
#38

eMolecules: 2511267
Molport: MolPort-001-598-043
Scientific Exchange: M-622240
AKOS: AKOS003365329
Alinda: IVK/0061705...16 total

ref: mol2, SDF, SMILES, flexibase
2.56,-1.28,-61.96,2,7,-1, 363.349, 6
20479740
 
#39

Scientific Exchange: M-278294
PubChem: 17372301
ref: mol2, SDF, SMILES, flexibase
3.50,5.87,-25.96,1,8,0, 375.193, 6
20550500
 
#40

Scientific Exchange: M-116479
Mcule: MCULE-5999705217
ChemDB: 6121262
PubChem: 3592533, 1498863
Mcule Make-on-demand: MCULE-5999705217...6 total

ref: mol2, SDF, SMILES, flexibase
3.64,12.4,-18.11,1,5,0, 421.547, 4
hi: mol2, SDF, SMILES, flexibase
3.71,11.76,-59.24,0,5,-1, 420.539, 4
20478667
 
#41

Scientific Exchange: M-586768
PubChem: 17379155
ref: mol2, SDF, SMILES, flexibase
1.66,6.34,-9.23,1,5,0, 251.673, 4
mid: mol2, SDF, SMILES, flexibase
1.66,6.82,-40.51,2,5,1, 252.681, 4
6221525
 
#42

eMolecules: 26965435
Scientific Exchange: C-004953
AKOS: AKOS001617048
American Custom Chemicals Corp.: HCH0228682
ChemDiv: 3584-0243...12 total

ref: mol2, SDF, SMILES, flexibase
4.25,-1.53,-11.06,1,3,0, 379.865, 4

Similar to: 2977510,
6228377
 
#43

eMolecules: 5730944
Molport: MolPort-003-360-337
Scientific Exchange: M-666605
AKOS: AKOS000341888
ChemDiv: 6650-5509...13 total

ref: mol2, SDF, SMILES, flexibase
1.88,-3.62,-9.78,3,5,0, 321.38, 6

Similar to: 6670524, 6670534, 6670535, 6670567, 9858542, ... 11 in total.
3876094
 
#44

Scientific Exchange: POD_26/0963
PubChem: 45358824, 40468197, 9562
ref: mol2, SDF, SMILES, flexibase
1.58,-2.41,-12.78,3,5,0, 378.44, 2

Similar to: 3978012, 3978013, 3978014, 3978043, 3978044, ... 35 in total.
5776838
 
#45

Scientific Exchange: R-028583
ChemDB: 6407325
PubChem: 4347549, 9658644
ref: mol2, SDF, SMILES, flexibase
3.84,-1.98,-24.92,2,7,0, 342.38, 6
3901355
 
#46

eMolecules: 2766245
Molport: MolPort-001-498-448
Scientific Exchange: T-067427
AKOS: AKOS003262249
BioBlocks: A2337/0098650...18 total

ref: mol2, SDF, SMILES, flexibase
3.46,-0.74,-10.03,2,5,0, 352.312, 4
6883462
 
#47

eMolecules: 3977233
Molport: MolPort-001-573-882
Scientific Exchange: M-187223
AKOS: AKOS003291744
Alinda: IVK/1194403...15 total

ref: mol2, SDF, SMILES, flexibase
2.42,-0.93,-12.54,1,4,0, 273.723, 3

Similar to: 55629940, 55629981, 55629983, 55629984, 55630487, ... 5 in total.
12560381
 
#48

Molport: MolPort-001-487-269
Scientific Exchange: X-088422
ChemBridge: 5806052
Princeton BioMolecular Research: OSSL_416036
UORSY: PB56872015...11 total

ref: mol2, SDF, SMILES, flexibase
4.29,13.64,-58.5,0,11,-1, 477.453, 7

Similar to: 12560383, 12560385, 9090680,
12844351
 
#49

eMolecules: 7654641
Molport: MolPort-002-751-167
Scientific Exchange: K-018202
AKOS: AKOS003264428
ChemDiv: 3209-1198...15 total

ref: mol2, SDF, SMILES, flexibase
3.66,11.04,-42.51,3,7,1, 488.321, 7
mid: mol2, SDF, SMILES, flexibase
3.84,10.94,-44.29,3,7,1, 488.321, 7
mid: mol2, SDF, SMILES, flexibase
3.84,11.45,-84.83,4,7,2, 489.329, 7
mid: mol2, SDF, SMILES, flexibase
3.66,10.53,-16.69,2,7,0, 487.313, 7

Similar to: 12844353, 12950224, 6445267, 6445269, 6445270, ... 7 in total.
50584
 
#50

eMolecules: 6152237
Molport: MolPort-002-692-760
Scientific Exchange: POD_30/0925
AKOS: AKOS001601503
BioBlocks: A0868/0040706...16 total

ref: mol2, SDF, SMILES, flexibase
3.47,2.97,-17.08,4,6,0, 335.363, 5

Similar to: 2379919,
20472535
 
#51

eMolecules: 2265693
Molport: MolPort-002-096-838
Scientific Exchange: M-494354
AKOS: AKOS003310175
Alinda: IVK/4004821...20 total

ref: mol2, SDF, SMILES, flexibase
2.69,6.38,-9.19,0,4,0, 322.767, 3

Similar to: 31785369, 42751825,
2735653
 
#52

eMolecules: 46450833
Molport: MolPort-001-554-345
Scientific Exchange: M-055916
AKOS: AKOS003306559
Alinda: IVK/1010016...14 total

ref: mol2, SDF, SMILES, flexibase
5.42,9.24,-19.16,1,6,0, 472.726, 4
20435886
 
#53

Scientific Exchange: M-957982
AKOS: AKOS000477456
Zylexa Pharma: MSS12121
PubChem: 17336180
Ambinter: Amb6886131...5 total

ref: mol2, SDF, SMILES, flexibase
4.76,6.89,-16.94,1,5,0, 388.663, 4
19364257
 
#54

eMolecules: 1414548
Molport: MolPort-001-987-825
Scientific Exchange: E-023011
AKOS: AKOS003652083
Princeton BioMolecular Research: OSSK_512298...17 total

ref: mol2, SDF, SMILES, flexibase
3.46,10.39,-41.08,1,3,1, 336.503, 4
mid: mol2, SDF, SMILES, flexibase
3.46,10.44,-34.86,1,3,1, 336.503, 4
hi: mol2, SDF, SMILES, flexibase
3.46,8.11,-5.24,0,3,0, 335.495, 4
lo: mol2, SDF, SMILES, flexibase
3.46,10.77,-90.72,2,3,2, 337.511, 4

Similar to: 36777264, 36777265,
20522164
 
#55

eMolecules: 46459290
Molport: MolPort-008-297-271
Scientific Exchange: M-852054
AKOS: AKOS003334114
Alinda: IVK/0009286...12 total

ref: mol2, SDF, SMILES, flexibase
5.68,14.6,-11.37,1,4,0, 457.936, 7
299949
 
#56

eMolecules: 7670522
Molport: MolPort-003-180-589
Scientific Exchange: Z-042613
Mcule: MCULE-5285254084
ChemDB: 4283401...11 total

ref: mol2, SDF, SMILES, flexibase
4.39,9.85,-9.59,1,2,0, 265.356, 2

Similar to: 6529457, 25091049, 25091054, 36479896, 36479897, ... 8 in total.
990663
 
#57

eMolecules: 2759988
Molport: MolPort-001-029-278
Scientific Exchange: X-042980
AKOS: AKOS003236159
Mcule: MCULE-6789984153...15 total

ref: mol2, SDF, SMILES, flexibase
5.84,3.88,-15.83,0,8,0, 516.509, 5
1300326
 
#58

eMolecules: 33566748, 4445084
Molport: MolPort-002-567-690
Scientific Exchange: E-026291
AKOS: AKOS001642802
ChemDiv: 4286-0123...18 total

ref: mol2, SDF, SMILES, flexibase
0.67,0.94,-37.06,1,5,1, 441.598, 6

Similar to: 8660978,
20436096
 
#59

Scientific Exchange: Z-076263
PubChem: 17389490, 28946699, 54743958
ref: mol2, SDF, SMILES, flexibase
2.45,6.06,-53.02,1,6,-1, 298.274, 2
76942
 
#60

eMolecules: 1235852
Molport: MolPort-001-936-962
Scientific Exchange: Z-045674
AKOS: AKOS000597443
Asinex: BAS00518617...25 total

ref: mol2, SDF, SMILES, flexibase
3.85,10.02,-11.52,1,5,0, 325.393, 3
lo: mol2, SDF, SMILES, flexibase
3.85,10.38,-30.42,2,5,1, 326.401, 3

Similar to: 195151, 4175787,
2576195
 
#61

eMolecules: 4261698
Scientific Exchange: K-041968
AKOS: AKOS003956333
Fluorochem: 014619
Mcule: MCULE-1187966051...14 total

ref: mol2, SDF, SMILES, flexibase
3.03,-6.23,-9.49,3,4,0, 303.774, 2

Similar to: 6342064, 6342096, 7038648, 16776386, ... 4 in total.
112878
 
#62

eMolecules: 25810413
Molport: MolPort-001-954-982
Scientific Exchange: T-015158
AKOS: AKOS000602224
American Custom Chemicals Corp.: CHM0256327...22 total

ref: mol2, SDF, SMILES, flexibase
2.25,1.98,-9.67,0,5,0, 327.38, 5

Similar to: 563642, 563644, 5825918, 6348342, 6348343, ... 11 in total.
706746
 
#63

eMolecules: 1282634
Molport: MolPort-001-948-416
Scientific Exchange: R-069219
AKOS: AKOS000598776
Asinex: BAS00846923...17 total

ref: mol2, SDF, SMILES, flexibase
4.25,-0.04,-7.83,1,4,0, 380.447, 1

Similar to: 706747, 707119, 707120, 1187047, 1187048, ... 11 in total.
20479459
 
#64

Scientific Exchange: M-850856
PubChem: 17276735
ref: mol2, SDF, SMILES, flexibase
6.61,13.48,-9.08,1,4,0, 498.719, 6
8295246
 
#65

Scientific Exchange: Z-026419
Mcule: MCULE-6909389675
Princeton BioMolecular Research: OSSL_990922
Zelinsky Institute: UZI/6187657
ChemDB: 5759191...7 total

ref: mol2, SDF, SMILES, flexibase
5.83,-0.74,-9.51,1,3,0, 330.412, 2

Similar to: 4964832, 5376356, 5376979, 5376981, ... 4 in total.
752193
 
#66

eMolecules: 1025516
Molport: MolPort-000-904-824
Scientific Exchange: POD_96/0718
AKOS: AKOS000650496
Alinda: IVK/2000019...19 total

ref: mol2, SDF, SMILES, flexibase
6.40,14.52,-15.81,1,4,0, 435.951, 5
2747912
 
#67

eMolecules: 3974091
Molport: MolPort-001-516-670
Scientific Exchange: E-001916
AKOS: AKOS003271071
Mcule: MCULE-1653963220...13 total

ref: mol2, SDF, SMILES, flexibase
2.10,-4.68,-8.75,2,4,0, 265.382, 5
5090821
 
#68

eMolecules: 2128978
Molport: MolPort-001-509-827
Scientific Exchange: K-042611
AKOS: AKOS003271719
Alinda: IVK/9068857...17 total

ref: mol2, SDF, SMILES, flexibase
1.58,-2.65,-55.88,0,6,-1, 347.366, 3

Similar to: 15746613, 5090820,
4777131
 
#69

eMolecules: 1829984
Scientific Exchange: M-935554
AKOS: AKOS002277735
ChemBridge: 9026782
IBScreen: STOCK4S-93923...18 total

ref: mol2, SDF, SMILES, flexibase
3.78,-2.54,-8.98,1,5,0, 357.841, 4
717639
 
#70

eMolecules: 1684822
Molport: MolPort-001-028-467
Scientific Exchange: X-028199
Alinda: IBS-L0125886
Mcule: MCULE-3828016152...18 total

ref: mol2, SDF, SMILES, flexibase
4.48,1.53,-14.58,1,5,0, 358.397, 4

Similar to: 717641,
8514116
 
#71

eMolecules: 30157975
Molport: MolPort-008-321-717
Scientific Exchange: M-719298
AKOS: AKOS005607290
Mcule: MCULE-1152988550...12 total

ref: mol2, SDF, SMILES, flexibase
4.51,-0.05,-9.27,0,4,0, 397.258, 2

Similar to: 8514065, 1443300, 1443301,
435954
 
#72

eMolecules: 2018520
Scientific Exchange: X-085659
AKOS: AKOS001060898
ChemBridge: 5795505
IBScreen: STOCK2S-52192...17 total

ref: mol2, SDF, SMILES, flexibase
4.26,0.37,-14.09,0,7,0, 331.715, 5
4753919
 
#73

Molport: MolPort-001-635-432
Scientific Exchange: M-284819
Mcule: MCULE-3434679752
Princeton BioMolecular Research: OSSL_822671
TimTec Make-on-Demand: ST50431788...14 total

ref: mol2, SDF, SMILES, flexibase
6.08,0.05,-9.6,2,2,0, 356.856, 3

Similar to: 34394776, 34555548, 35825140, 39253358, ... 4 in total.
333752
 
#74

eMolecules: 1271993
Scientific Exchange: SER/0007294
Scientific Exchange (make on demand): X-031341
AKOS: AKOS000383875
Alinda: IBS-0005360...26 total

ref: mol2, SDF, SMILES, flexibase
1.03,-3.59,-15.98,1,7,0, 293.304, 5

Similar to: 5322233, 34330379,
2734534
 
#75

eMolecules: 2211052
Molport: MolPort-001-563-255
Scientific Exchange: M-131833
AKOS: AKOS003299478
Alinda: IBS-L0148402...17 total

ref: mol2, SDF, SMILES, flexibase
4.96,-0.44,-16.78,2,4,0, 385.25, 4

Similar to: 6305626, 37020012,
2059563
 
#76

eMolecules: 25796233
Molport: MolPort-001-021-500
Scientific Exchange: Z-067955
AKOS: AKOS000483262
Alinda: IBS-L0063097...20 total

ref: mol2, SDF, SMILES, flexibase
4.87,8.07,-5.69,0,2,0, 378.114, 3
4786573
 
#77

eMolecules: 6130725
Molport: MolPort-001-493-148
Scientific Exchange: R-019880
AKOS: AKOS003602756
BioBlocks: A4113/0175320...14 total

ref: mol2, SDF, SMILES, flexibase
5.06,-3.41,-9.98,3,7,0, 409.515, 3

Similar to: 12376722,
1002673
 
#78

eMolecules: 3979527
Molport: MolPort-001-569-610
Scientific Exchange: M-155958
AKOS: AKOS003302137
Alinda: IVK/9347463...15 total

ref: mol2, SDF, SMILES, flexibase
4.45,-1.98,-7.13,2,3,0, 278.783, 4

Similar to: 43956050,
20509880
 
#79

Scientific Exchange: Q-052476
PubChem: 17388871, 28997306
ref: mol2, SDF, SMILES, flexibase
5.64,11.98,-9.23,1,4,0, 450.361, 5
4452463
 
#80

eMolecules: 25780515
Molport: MolPort-019-765-666, MolPort-001-923-491
Scientific Exchange: SMN-0059302
AKOS: AKOS000554581
Asinex: BAS00317502...16 total

ref: mol2, SDF, SMILES, flexibase
3.10,-0.2,-10.44,1,6,0, 357.215, 4

Similar to: 4595712, 33908933,
382026
 
#81

eMolecules: 33655934
Scientific Exchange: F-142563
Mcule: MCULE-8772757379
Princeton BioMolecular Research: OSSL_479216
TimTec: ST45001962...10 total

ref: mol2, SDF, SMILES, flexibase
3.94,1.69,-14.19,1,3,0, 310.422, 4

Similar to: 1382464,
822806
 
#82

eMolecules: 1266359
Molport: MolPort-001-486-301
Scientific Exchange: X-072447
AKOS: AKOS000643041
Asinex: BAS00721742...15 total

ref: mol2, SDF, SMILES, flexibase
5.50,11.89,-17,2,5,0, 456.448, 6

Similar to: 362221,
20494951
 
#83

Scientific Exchange: M-535371
PubChem: 28985165, 17376952
AKOS (make-on-demand): AKOS003327065
ref: mol2, SDF, SMILES, flexibase
4.77,11.84,-12.98,1,3,0, 413.345, 7

Similar to: 33786165, 33786166,
15945916
 
#84

eMolecules: 2783105
Molport: MolPort-001-563-719
Scientific Exchange: M-133795
AKOS: AKOS003596505
Mcule: MCULE-9673177383...16 total

ref: mol2, SDF, SMILES, flexibase
5.39,8.44,-13.2,2,6,0, 469.651, 6

Similar to: 15945918, 15946054, 15946056, 15946064, 15946066, ... 9 in total.
20367904
 
#85

Scientific Exchange: R-010129
ChemDB: 6407102
PubChem: 3666429
ref: mol2, SDF, SMILES, flexibase
7.36,16,-12.21,2,7,0, 440.532, 6
84600
 
#86

eMolecules: 646486
Scientific Exchange: 1-0008
Scientific Exchange (make on demand): POD_68/0413
AKOS: AKOS000487303
Aldrich CPR: R542032|ALDRICH...35 total

ref: mol2, SDF, SMILES, flexibase
1.86,1.55,-15.08,2,5,0, 284.315, 1
8406846
 
#87

eMolecules: 6750689
Molport: MolPort-001-022-709
Scientific Exchange: Z-071444
AKOS: AKOS005528118
Mcule: MCULE-3142985264...13 total

ref: mol2, SDF, SMILES, flexibase
6.83,1.41,-9.32,1,1,0, 478.375, 4

Similar to: 8406850, 8406855, 15162996, 15162999, ... 5 in total.
4811265
 
#88

eMolecules: 2320801
Molport: MolPort-001-618-604
Scientific Exchange: M-916476
AKOS: AKOS000477012
ChemBridge: 7982514...18 total

ref: mol2, SDF, SMILES, flexibase
3.06,-0.23,-49.4,2,7,1, 420.917, 6

Similar to: 8994514, 41575496,
1085756
 
#89

eMolecules: 6749141
Molport: MolPort-002-699-417, MolPort-003-879-772
Scientific Exchange: ZV-0313
AKOS: AKOS001716379
BioBlocks: A1456/0064240...18 total

ref: mol2, SDF, SMILES, flexibase
0.16,-4.95,-11.46,5,5,0, 351.229, 2

Similar to: 6593064, 6593076, 6593195, 6593208, ... 5 in total.
5500056
 
#90

Scientific Exchange: E-099395
ChemDB: 6403878
PubChem: 6285967, 5154676
ref: mol2, SDF, SMILES, flexibase
3.52,1.9,-7.94,0,3,0, 207.273, 0
12844349
 
#91

eMolecules: 7654641
Molport: MolPort-002-751-167
Scientific Exchange: K-018202
AKOS: AKOS003264428
ChemDiv: 3209-1198...15 total

ref: mol2, SDF, SMILES, flexibase
3.66,10.3,-42.35,3,7,1, 488.321, 7
mid: mol2, SDF, SMILES, flexibase
3.84,10.32,-42.74,3,7,1, 488.321, 7
mid: mol2, SDF, SMILES, flexibase
3.84,10.83,-82.24,4,7,2, 489.329, 7
mid: mol2, SDF, SMILES, flexibase
3.66,9.79,-18.06,2,7,0, 487.313, 7

Similar to: 12844351, 12844353, 12950224,
3165656
 
#92

Scientific Exchange: POD_20/0642
ChemDB: 6406313
PubChem: 40457529, 4216373
SureChEMBL: SCHEMBL9945634
ref: mol2, SDF, SMILES, flexibase
-0.46,2,-52.71,0,4,-1, 179.132, 5

Similar to: 34383521, 34383522, 34383523, 34383524, 39331091, ... 8 in total.
20551423
 
#93

Scientific Exchange: E-001868
Otava (Virtual): 10134681
ChemDB: 6320081
PubChem: 7769790, 7769791, 3349753
AKOS (make-on-demand): AKOS003271037...7 total

ref: mol2, SDF, SMILES, flexibase
2.12,4.75,-15.29,2,4,0, 293.436, 7
20095297
 
#94

Scientific Exchange: M-669792
PubChem: 17388309
AKOS (make-on-demand): AKOS003355040
Ambinter: Amb6885346
ref: mol2, SDF, SMILES, flexibase
4.46,13.16,-16.8,0,8,0, 499.317, 6
18241609
 
#95

eMolecules: 4068008
Molport: MolPort-001-550-692
Scientific Exchange: M-041528
AKOS: AKOS003314321
Mcule: MCULE-1358038540...13 total

ref: mol2, SDF, SMILES, flexibase
5.74,11.14,-6.43,0,4,0, 390.266, 3
ref: mol2, SDF, SMILES, flexibase
5.74,11.18,-7.82,0,4,0, 390.266, 3
5571295
 
#96

eMolecules: 3976323
Molport: MolPort-001-516-661
Scientific Exchange: E-001823
AKOS: AKOS003271001
Alinda: IVK/1033459...15 total

ref: mol2, SDF, SMILES, flexibase
3.10,9.65,-13.2,2,3,0, 271.389, 5
lo: mol2, SDF, SMILES, flexibase
3.10,9.5,-28.05,3,3,1, 272.397, 5
85300
 
#97

eMolecules: 2767344
Molport: MolPort-000-908-387
Scientific Exchange: T-096653
AKOS: AKOS001744720
BioBlocks: A2256/0095035...17 total

ref: mol2, SDF, SMILES, flexibase
2.17,3.4,-11.37,0,6,0, 316.357, 5
lo: mol2, SDF, SMILES, flexibase
2.17,3.52,-35.19,1,6,1, 317.365, 5

Similar to: 34225543, 36485800, 36485802,
4398932
 
#98

Molport: MolPort-001-030-297
Scientific Exchange: X-062272
ChemBridge: 5545894
ref: mol2, SDF, SMILES, flexibase
1.58,-0.23,-54.14,2,5,1, 309.393, 4

Similar to: 55071891,
376574
 
#99

eMolecules: 3169566
Molport: MolPort-001-546-997
Scientific Exchange: Q-088614
AKOS: AKOS001047374
Alinda: IVK/9337198...22 total

ref: mol2, SDF, SMILES, flexibase
3.01,5.99,-6.06,1,2,0, 223.341, 3

Similar to: 2772796, 6334859, 6334866, 25362630, 25712921, ... 9 in total.
2303923
 
#100

eMolecules: 1589790
Scientific Exchange: T-027678
AKOS: AKOS000435420
American Custom Chemicals Corp.: HCH0191888
IBScreen: STOCK2S-48586...13 total

ref: mol2, SDF, SMILES, flexibase
4.43,-6.33,-17.18,2,7,0, 516.417, 9

Similar to: 16478966, 16478972, 16478998, 16479007, 16479012, ... 7 in total.

Old detail retrieval took 3 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 = 263 ) limit 0,100

Smiles were