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

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9209897
 
#1

eMolecules: 4628704
AKOS: AKOS005547017
IBScreen: STOCK4S-79016
Mcule: MCULE-8506007581
Pharmeks: PHAR170688...9 total

ref: mol2, SDF, SMILES, flexibase
3.58,14.08,-23.26,1,8,0, 455.518, 4

Similar to: 9281927, 9344890, 8969729, 8969731, 8969733, ... 8 in total.
54274702
 
#2

eMolecules: 7898978
Molport: MolPort-002-997-472
Scientific Exchange (make on demand): F-151886
AKOS: AKOS002316190
ChemBridge: 9212363...18 total

ref: mol2, SDF, SMILES, flexibase
1.19,11.15,-10.62,2,9,0, 355.45, 4
lo: mol2, SDF, SMILES, flexibase
1.19,11.35,-30.59,3,9,1, 356.458, 4
lo: mol2, SDF, SMILES, flexibase
1.19,11.5,-32.38,3,9,1, 356.458, 4
39359371
 
#3

eMolecules: 46515961
Molport: MolPort-005-975-983
AKOS: AKOS005579081
Mcule: MCULE-6516422072
Pharmeks: PHAR216705...10 total

ref: mol2, SDF, SMILES, flexibase
3.36,6.81,-21.07,2,6,0, 373.21, 4
lo: mol2, SDF, SMILES, flexibase
3.36,7.3,-48.47,3,6,1, 374.218, 4

Similar to: 15979155,
39979758
 
#4

eMolecules: 30388104
Molport: MolPort-005-975-922
AKOS: AKOS005570451
Mcule: MCULE-2299793328
Pharmeks: PHAR216570...7 total

ref: mol2, SDF, SMILES, flexibase
2.12,10,-17.46,2,7,0, 347.378, 2
mid: mol2, SDF, SMILES, flexibase
2.09,10.24,-105.51,2,7,2, 347.378, 2
57165192
 
#5

eMolecules: 17659560
Molport: MolPort-005-929-448
AKOS: AKOS005564477
Mcule: MCULE-1672809265
Pharmeks: PHAR216561...10 total

ref: mol2, SDF, SMILES, flexibase
4.50,8.93,-9.77,0,4,0, 349.43, 3
54313718
 
#6

eMolecules: 17663426
Molport: MolPort-005-931-113
AKOS: AKOS002299089
IBScreen: STOCK6S-64839
Life Chemicals: F3385-6251...11 total

ref: mol2, SDF, SMILES, flexibase
4.18,8.26,-13.29,0,7,0, 409.438, 5

Similar to: 12409070,
54313710
 
#7

eMolecules: 17653764
Molport: MolPort-005-927-000
AKOS: AKOS002299008
IBScreen: STOCK6S-58434
Life Chemicals: F3385-6246...11 total

ref: mol2, SDF, SMILES, flexibase
3.69,5.06,-11.64,1,5,0, 385.847, 4
31936786
 
#8

eMolecules: 26361138
Molport: MolPort-002-634-350
AKOS: AKOS005574509
IBScreen: STOCK5S-19386
Mcule: MCULE-9732597071...12 total

ref: mol2, SDF, SMILES, flexibase
3.43,11.55,-28.47,0,9,0, 469.501, 4
mid: mol2, SDF, SMILES, flexibase
-0.49,12.76,-37.8,1,9,1, 470.509, 5

Similar to: 9222210,
31936785
 
#9

eMolecules: 26361138
Molport: MolPort-002-634-350
AKOS: AKOS005574509
IBScreen: STOCK5S-19386
Mcule: MCULE-9732597071...12 total

ref: mol2, SDF, SMILES, flexibase
3.43,11.71,-31.23,0,9,0, 469.501, 4
mid: mol2, SDF, SMILES, flexibase
-0.49,12.7,-35.31,1,9,1, 470.509, 5

Similar to: 9222210,
54313695
 
#10

eMolecules: 17659734
Molport: MolPort-005-929-520
AKOS: AKOS002298788
IBScreen: STOCK6S-62388
Life Chemicals: F3385-6229...11 total

ref: mol2, SDF, SMILES, flexibase
4.93,8.4,-8.96,0,4,0, 369.848, 3
49937440
 
#11

eMolecules: 46512332
Molport: MolPort-005-975-769
AKOS: AKOS005564335
Mcule: MCULE-7934001974
Pharmeks: PHAR216212...7 total

ref: mol2, SDF, SMILES, flexibase
4.23,4.5,-14.62,3,8,0, 424.482, 5
54313673
 
#12

eMolecules: 17655920
Molport: MolPort-005-927-911
AKOS: AKOS002299062
IBScreen: STOCK6S-59850
Life Chemicals: F3385-6218...11 total

ref: mol2, SDF, SMILES, flexibase
4.31,7.47,-10.75,0,5,0, 399.874, 5
31936850
 
#13

eMolecules: 26214018
Molport: MolPort-002-621-129
IBScreen: STOCK4S-75880
Mcule: MCULE-6930938525
Otava: 1009025...19 total

ref: mol2, SDF, SMILES, flexibase
2.16,10.18,-22.93,0,9,0, 440.463, 3

Similar to: 30913155, 30913160, 31936848, 2426691, 2426693, ... 5 in total.
31936848
 
#14

eMolecules: 26214018
Molport: MolPort-002-621-129
IBScreen: STOCK4S-75880
Mcule: MCULE-6930938525
Otava: 1009025...19 total

ref: mol2, SDF, SMILES, flexibase
2.16,10.64,-26.21,0,9,0, 440.463, 3
mid: mol2, SDF, SMILES, flexibase
-1.76,11.65,-32.16,1,9,1, 441.471, 4

Similar to: 31936850, 30913155, 30913160, 2426691, 2426693, ... 5 in total.
39148611
 
#15

eMolecules: 26397633
Molport: MolPort-004-859-396, MolPort-005-975-436
AKOS: AKOS005534303
IBScreen: STOCK6S-61151
Mcule: MCULE-1337099928...17 total

ref: mol2, SDF, SMILES, flexibase
1.29,1.83,-17.02,2,9,0, 439.563, 6
39148610
 
#16

eMolecules: 26397633
Molport: MolPort-004-859-396, MolPort-005-975-436
AKOS: AKOS005534303
IBScreen: STOCK6S-61151
Mcule: MCULE-1337099928...17 total

ref: mol2, SDF, SMILES, flexibase
1.29,1.91,-16.78,2,9,0, 439.563, 6
54313665
 
#17

eMolecules: 17660950
Molport: MolPort-005-930-044
AKOS: AKOS002299006
IBScreen: STOCK6S-63203
Innovapharm: STT-00324806...13 total

ref: mol2, SDF, SMILES, flexibase
4.71,7.79,-9.43,0,4,0, 355.821, 3

Similar to: 12407072,
57165077
 
#18

eMolecules: 26397619
Molport: MolPort-005-928-674
AKOS: AKOS005564377
IBScreen: STOCK6S-61048
Mcule: MCULE-1938846510...10 total

ref: mol2, SDF, SMILES, flexibase
3.50,8.45,-11.51,0,5,0, 402.425, 3
lo: mol2, SDF, SMILES, flexibase
3.50,8.91,-43.23,1,5,1, 403.433, 3
54333116
 
#19

eMolecules: 206982587
Molport: MolPort-005-927-022
AKOS: AKOS005177153
IBScreen: STOCK6S-58469
Innovapharm: STT-00347532...12 total

ref: mol2, SDF, SMILES, flexibase
3.57,8.5,-11.9,0,5,0, 402.425, 3
mid: mol2, SDF, SMILES, flexibase
3.57,9.24,-42.98,1,5,1, 403.433, 3
57172565
 
#20

eMolecules: 17652850
Molport: MolPort-005-926-620
AKOS: AKOS005569719
IBScreen: STOCK6S-57810
Mcule: MCULE-5984117479...10 total

ref: mol2, SDF, SMILES, flexibase
3.64,7.18,-15.12,0,8,0, 425.437, 8
54313731
 
#21

eMolecules: 17655470
Molport: MolPort-005-927-733
AKOS: AKOS002298732
IBScreen: STOCK6S-59554
Innovapharm: STT-00324850...13 total

ref: mol2, SDF, SMILES, flexibase
4.33,8.37,-12.86,0,7,0, 409.438, 6
54313314
 
#22

eMolecules: 13595522
Molport: MolPort-004-932-029
AKOS: AKOS002298506
Innovapharm: STT-00324043
Life Chemicals: F3385-5617...13 total

ref: mol2, SDF, SMILES, flexibase
3.32,6.99,-15.14,0,6,0, 400.434, 4
lo: mol2, SDF, SMILES, flexibase
3.32,7.45,-47.68,1,6,1, 401.442, 4

Similar to: 8993273,
49937391
 
#23

eMolecules: 46513267
Molport: MolPort-005-975-124
AKOS: AKOS005567439
Mcule: MCULE-5243683793
Pharmeks: PHAR214749...7 total

ref: mol2, SDF, SMILES, flexibase
3.38,5.05,-14.83,3,7,0, 369.45, 2
55102120
 
#24

eMolecules: 17664830
Molport: MolPort-004-849-124
AKOS: AKOS005576761
ChemBridge: 9328100
IBScreen: STOCK6S-65757...16 total

ref: mol2, SDF, SMILES, flexibase
3.98,10.03,-9.56,0,4,0, 348.425, 4

Similar to: 12409844,
54333080
 
#25

eMolecules: 17653818
Molport: MolPort-005-927-028
IBScreen: STOCK6S-58475
Innovapharm: STT-00347438
Mcule: MCULE-1990800544...11 total

ref: mol2, SDF, SMILES, flexibase
4.39,8.33,-10.15,0,4,0, 353.393, 3

Similar to: 12408519,
55393803
 
#26

eMolecules: 4616688
Molport: MolPort-002-618-239
AKOS: AKOS001757895
IBScreen: STOCK4S-66722
Mcule: MCULE-4019270067...13 total

ref: mol2, SDF, SMILES, flexibase
5.46,11.81,-14.94,0,4,0, 415.464, 4
57176048
 
#27

eMolecules: 17662666
Molport: MolPort-005-930-788
AKOS: AKOS005574866
IBScreen: STOCK6S-64339
Mcule: MCULE-8095705985...10 total

ref: mol2, SDF, SMILES, flexibase
4.15,7.32,-10.1,0,4,0, 339.366, 3

Similar to: 12408519,
55102115
 
#28

eMolecules: 17657600
Molport: MolPort-004-848-645
ChemBridge: 9143769
IBScreen: STOCK6S-60969
Innovapharm: STT-00385026...16 total

ref: mol2, SDF, SMILES, flexibase
3.81,9.96,-9.72,0,4,0, 330.435, 4
57176063
 
#29

eMolecules: 26397993
Molport: MolPort-005-930-250
AKOS: AKOS005577295
IBScreen: STOCK6S-63528
Mcule: MCULE-7040317223...10 total

ref: mol2, SDF, SMILES, flexibase
3.62,8.38,-11.82,0,5,0, 402.425, 3
mid: mol2, SDF, SMILES, flexibase
3.62,9.12,-42.28,1,5,1, 403.433, 3
54333091
 
#30

eMolecules: 206983513
Molport: MolPort-005-931-420
IBScreen: STOCK6S-65307
Innovapharm: STT-00347466
Mcule: MCULE-5474519053...11 total

ref: mol2, SDF, SMILES, flexibase
3.38,7.2,-12.95,0,7,0, 444.487, 5
lo: mol2, SDF, SMILES, flexibase
3.38,7.66,-44.98,1,7,1, 445.495, 5

Similar to: 41587427,
49937369
 
#31

eMolecules: 46513014
Molport: MolPort-005-974-679
AKOS: AKOS005566428
Mcule: MCULE-9909788212
Pharmeks: PHAR213766...7 total

ref: mol2, SDF, SMILES, flexibase
4.01,5.19,-13.93,3,9,0, 454.508, 6
57176031
 
#32

eMolecules: 26397455
Molport: MolPort-005-927-998
AKOS: AKOS005573497
IBScreen: STOCK6S-59994
Mcule: MCULE-1503106578...10 total

ref: mol2, SDF, SMILES, flexibase
3.49,7.01,-7.72,0,4,0, 339.416, 2
50571524
 
#33

eMolecules: 45597898, 206981114
Molport: MolPort-023-228-348, MolPort-020-101-788, MolPort-002-616-439
AKOS: AKOS005568374
Enamine: Z118332578
IBScreen: STOCK4S-61194...18 total

ref: mol2, SDF, SMILES, flexibase
4.55,13.63,-28.61,0,9,0, 485.544, 8
lo: mol2, SDF, SMILES, flexibase
0.63,14.82,-39.8,1,9,1, 486.552, 9

Similar to: 9158335, 9159735, 9185505, 9222372, ... 4 in total.
49937342
 
#34

eMolecules: 46512622
Molport: MolPort-005-974-410
AKOS: AKOS005564979
Mcule: MCULE-4506339761
Pharmeks: PHAR213184...7 total

ref: mol2, SDF, SMILES, flexibase
6.25,8.65,-12.15,1,4,0, 385.901, 2
hi: mol2, SDF, SMILES, flexibase
5.39,7.74,-53.12,0,4,-1, 384.893, 3

Similar to: 13725022,
54313705
 
#35

eMolecules: 17663046
Molport: MolPort-005-930-950
AKOS: AKOS002298978
Life Chemicals: F3385-6243
Mcule: MCULE-2495074707...11 total

ref: mol2, SDF, SMILES, flexibase
3.42,5.55,-12.45,0,6,0, 381.428, 5

Similar to: 12408726,
57172639
 
#36

eMolecules: 26396973
Molport: MolPort-005-925-719
AKOS: AKOS005569821
IBScreen: STOCK6S-56442
Mcule: MCULE-1853203039...10 total

ref: mol2, SDF, SMILES, flexibase
3.23,7.52,-10.79,0,5,0, 390.464, 3
lo: mol2, SDF, SMILES, flexibase
3.23,7.98,-42.33,1,5,1, 391.472, 3
54333104
 
#37

eMolecules: 17654218
Molport: MolPort-005-927-192
AKOS: AKOS005177823
IBScreen: STOCK6S-58726
Innovapharm: STT-00347503...13 total

ref: mol2, SDF, SMILES, flexibase
4.17,7.61,-12.25,0,4,0, 353.393, 2
57165166
 
#38

eMolecules: 26397671
Molport: MolPort-005-928-872
AKOS: AKOS005564437
IBScreen: STOCK6S-61375
Mcule: MCULE-9693704652...10 total

ref: mol2, SDF, SMILES, flexibase
3.33,8.38,-11.33,0,5,0, 384.435, 3
lo: mol2, SDF, SMILES, flexibase
3.33,8.84,-42.9,1,5,1, 385.443, 3

Similar to: 41586745, 41587387,
49937308
 
#39

eMolecules: 46512484
Molport: MolPort-005-973-807
AKOS: AKOS005564884
Mcule: MCULE-5577720014
Pharmeks: PHAR211741...7 total

ref: mol2, SDF, SMILES, flexibase
1.57,7.43,-15.75,1,6,0, 391.399, 3
mid: mol2, SDF, SMILES, flexibase
0.71,6.54,-51.33,0,6,-1, 390.391, 4
49937307
 
#40

eMolecules: 46513549
Molport: MolPort-005-973-804
AKOS: AKOS005568532
Mcule: MCULE-9205650112
Pharmeks: PHAR211729...7 total

ref: mol2, SDF, SMILES, flexibase
1.99,4.91,-21.15,1,7,0, 304.31, 2
54333092
 
#41

eMolecules: 206999119
Molport: MolPort-005-910-908
AKOS: AKOS005177787
IBScreen NP: STOCK1N-71936
Innovapharm: STT-00347467...12 total

ref: mol2, SDF, SMILES, flexibase
3.43,7.09,-13.59,0,7,0, 444.487, 5
lo: mol2, SDF, SMILES, flexibase
3.43,7.56,-45.8,1,7,1, 445.495, 5
53684175
 
#42

Molport: MolPort-005-973-495
Pharmeks: PHAR211031
Mcule Make-on-demand: MCULE-2904997522
53684172
 
#43

Molport: MolPort-005-973-495
Pharmeks: PHAR211031
Mcule Make-on-demand: MCULE-2904997522
55197046
 
#44

eMolecules: 30392652, 2568908
Molport: MolPort-002-560-871, MolPort-005-973-436
BioBlocks: A2091/0087921
ChemDiv: 3331-4123
Chemical Block: A2091/0087921...15 total

55197042
 
#45

eMolecules: 30392652, 2568908
Molport: MolPort-002-560-871, MolPort-005-973-436
BioBlocks: A2091/0087921
ChemDiv: 3331-4123
Chemical Block: A2091/0087921...15 total

49937290
 
#46

eMolecules: 4665403
Molport: MolPort-002-636-241, MolPort-005-973-411
IBScreen: STOCK5S-25485
Pharmeks: PHAR210835
Vitas-M: STL057577...7 total

ref: mol2, SDF, SMILES, flexibase
4.00,13.2,-16.44,0,6,0, 411.44, 2
lo: mol2, SDF, SMILES, flexibase
4.00,13.71,-19.54,1,6,0, 412.448, 2
lo: mol2, SDF, SMILES, flexibase
4.00,13.72,-16.02,1,6,0, 412.448, 2
49937289
 
#47

eMolecules: 4665403
Molport: MolPort-002-636-241, MolPort-005-973-411
IBScreen: STOCK5S-25485
Pharmeks: PHAR210835
Vitas-M: STL057577...7 total

ref: mol2, SDF, SMILES, flexibase
4.00,11.98,-12.95,0,6,0, 411.44, 2
lo: mol2, SDF, SMILES, flexibase
4.00,12.43,-22.75,1,6,0, 412.448, 2
lo: mol2, SDF, SMILES, flexibase
4.00,12.5,-12.95,1,6,0, 412.448, 2
49937288
 
#48

eMolecules: 4665403
Molport: MolPort-002-636-241, MolPort-005-973-411
IBScreen: STOCK5S-25485
Pharmeks: PHAR210835
Vitas-M: STL057577...7 total

ref: mol2, SDF, SMILES, flexibase
4.00,12.01,-19.05,0,6,0, 411.44, 2
lo: mol2, SDF, SMILES, flexibase
4.00,12.52,-15.78,1,6,0, 412.448, 2
lo: mol2, SDF, SMILES, flexibase
4.00,12.46,-12.21,1,6,0, 412.448, 2
49937287
 
#49

eMolecules: 4665403
Molport: MolPort-002-636-241, MolPort-005-973-411
IBScreen: STOCK5S-25485
Pharmeks: PHAR210835
Vitas-M: STL057577...7 total

ref: mol2, SDF, SMILES, flexibase
4.00,13.2,-16.35,0,6,0, 411.44, 2
lo: mol2, SDF, SMILES, flexibase
4.00,13.72,-16.03,1,6,0, 412.448, 2
lo: mol2, SDF, SMILES, flexibase
4.00,13.71,-19.47,1,6,0, 412.448, 2
49937286
 
#50

eMolecules: 30388170
Molport: MolPort-005-973-330
IBScreen: STOCK5S-20407
Pharmeks: PHAR210639
Vitas-M: STK639070...7 total

ref: mol2, SDF, SMILES, flexibase
5.64,14.39,-15.82,0,7,0, 498.608, 5
lo: mol2, SDF, SMILES, flexibase
5.64,14.86,-13.04,1,7,0, 499.616, 5
lo: mol2, SDF, SMILES, flexibase
5.64,14.06,-13.43,1,7,0, 499.616, 5
49937285
 
#51

eMolecules: 30388170
IBScreen: STOCK5S-20407
Pharmeks: PHAR210639
Vitas-M: STK639070
PubChem: 52329617...5 total

ref: mol2, SDF, SMILES, flexibase
5.64,14.59,-13.99,0,7,0, 498.608, 5
lo: mol2, SDF, SMILES, flexibase
5.64,13.71,-11.62,1,7,0, 499.616, 5
lo: mol2, SDF, SMILES, flexibase
5.64,15.07,-12.71,1,7,0, 499.616, 5
49937284
 
#52

eMolecules: 30388170
Molport: MolPort-002-634-651, MolPort-005-973-330
IBScreen: STOCK5S-20407
Pharmeks: PHAR210639
Vitas-M: STK639070...7 total

ref: mol2, SDF, SMILES, flexibase
5.64,13,-17.18,0,7,0, 498.608, 5
lo: mol2, SDF, SMILES, flexibase
5.64,13.48,-12.46,1,7,0, 499.616, 5
49937283
 
#53

eMolecules: 30388170
Molport: MolPort-005-973-330
IBScreen: STOCK5S-20407
Pharmeks: PHAR210639
Vitas-M: STK639070...6 total

ref: mol2, SDF, SMILES, flexibase
5.64,13.56,-14.89,0,7,0, 498.608, 5
lo: mol2, SDF, SMILES, flexibase
5.64,14.85,-13.04,1,7,0, 499.616, 5
lo: mol2, SDF, SMILES, flexibase
5.64,14.03,-13.44,1,7,0, 499.616, 5
57173632
 
#54

eMolecules: 4451320, 30387810
Molport: MolPort-002-569-793, MolPort-005-973-310
IBScreen: STOCK2S-62247
Pharmeks: PHAR210606
Vitas-M: STK887399...11 total

lo: mol2, SDF, SMILES, flexibase
3.77,8.21,-21.42,1,9,0, 499.932, 7
57328396
 
#55

eMolecules: 4451320, 30387810
Molport: MolPort-002-569-793, MolPort-005-973-310
IBScreen: STOCK2S-62247
Pharmeks: PHAR210606
Vitas-M: STK887399...10 total

57173629
 
#56

eMolecules: 30387810
Molport: MolPort-005-973-310
Pharmeks: PHAR210606
Vitas-M: STK638475, STK887399
50631326
 
#57

eMolecules: 4663446
Molport: MolPort-002-635-497, MolPort-005-973-304
IBScreen: STOCK5S-23085
Pharmeks: PHAR210586
Vitas-M: STK591671...7 total

ref: mol2, SDF, SMILES, flexibase
3.49,11.88,-11.89,0,5,0, 316.364, 1
lo: mol2, SDF, SMILES, flexibase
3.49,12.4,-13.24,1,5,0, 317.372, 1
50631323
 
#58

eMolecules: 4663446
Molport: MolPort-002-635-497, MolPort-005-973-304
IBScreen: STOCK5S-23085
Pharmeks: PHAR210586
Vitas-M: STK591671...7 total

ref: mol2, SDF, SMILES, flexibase
3.49,11.88,-11.92,0,5,0, 316.364, 1
lo: mol2, SDF, SMILES, flexibase
3.49,12.4,-13.23,1,5,0, 317.372, 1
49937279
 
#59

eMolecules: 30391698
IBScreen: STOCK5S-26071
Pharmeks: PHAR210479
Vitas-M: STK644745
PubChem: 52329610...5 total

ref: mol2, SDF, SMILES, flexibase
4.47,13.91,-13.27,0,7,0, 438.487, 4
lo: mol2, SDF, SMILES, flexibase
4.47,12.91,-18.17,1,7,0, 439.495, 4
lo: mol2, SDF, SMILES, flexibase
4.47,14.43,-16.71,1,7,0, 439.495, 4
49937278
 
#60

eMolecules: 4665915, 30391698
Molport: MolPort-002-636-428, MolPort-005-973-260
IBScreen: STOCK5S-26071
Pharmeks: PHAR210479
Vitas-M: STK644745...8 total

ref: mol2, SDF, SMILES, flexibase
4.47,12.54,-12.66,0,7,0, 438.487, 4
lo: mol2, SDF, SMILES, flexibase
4.47,13.06,-14.24,1,7,0, 439.495, 4
49937277
 
#61

eMolecules: 4665915, 30391698
Molport: MolPort-002-636-428, MolPort-005-973-260
IBScreen: STOCK5S-26071
Pharmeks: PHAR210479
Vitas-M: STK644745...8 total

ref: mol2, SDF, SMILES, flexibase
4.47,12.05,-13.82,0,7,0, 438.487, 4
lo: mol2, SDF, SMILES, flexibase
4.47,12.57,-16.38,1,7,0, 439.495, 4
49937276
 
#62

eMolecules: 30391698
IBScreen: STOCK5S-26071
Pharmeks: PHAR210479
Vitas-M: STK644745
PubChem: 52329607...5 total

ref: mol2, SDF, SMILES, flexibase
4.47,13.72,-15.04,0,7,0, 438.487, 4
lo: mol2, SDF, SMILES, flexibase
4.47,13.44,-15.52,1,7,0, 439.495, 4
lo: mol2, SDF, SMILES, flexibase
4.47,14.23,-15.56,1,7,0, 439.495, 4
49937275
 
#63

eMolecules: 30391066
IBScreen: STOCK3S-87453
Pharmeks: PHAR210464
Vitas-M: STK643713
PubChem: 52329606...5 total

ref: mol2, SDF, SMILES, flexibase
5.66,14.41,-17.79,0,7,0, 498.608, 5
lo: mol2, SDF, SMILES, flexibase
5.66,13.99,-12,1,7,0, 499.616, 5
lo: mol2, SDF, SMILES, flexibase
5.66,14.89,-13.39,1,7,0, 499.616, 5
49937274
 
#64

eMolecules: 30391066, 4539910
Molport: MolPort-002-593-618, MolPort-005-973-256
IBScreen: STOCK3S-87453
Pharmeks: PHAR210464
Vitas-M: STK643713...8 total

ref: mol2, SDF, SMILES, flexibase
5.66,12.01,-19.38,0,7,0, 498.608, 5
lo: mol2, SDF, SMILES, flexibase
5.66,12.46,-13.68,1,7,0, 499.616, 5
49937273
 
#65

eMolecules: 30391066
IBScreen: STOCK3S-87453
Pharmeks: PHAR210464
Vitas-M: STK643713
PubChem: 52329604...5 total

ref: mol2, SDF, SMILES, flexibase
5.66,14.72,-14.12,0,7,0, 498.608, 5
lo: mol2, SDF, SMILES, flexibase
5.66,13.69,-13.74,1,7,0, 499.616, 5
lo: mol2, SDF, SMILES, flexibase
5.66,15.21,-11.79,1,7,0, 499.616, 5
49937272
 
#66

eMolecules: 30391066, 4539910
Molport: MolPort-002-593-618, MolPort-005-973-256
IBScreen: STOCK3S-87453
Pharmeks: PHAR210464
Vitas-M: STK643713...8 total

ref: mol2, SDF, SMILES, flexibase
5.66,13.53,-14.41,0,7,0, 498.608, 5
lo: mol2, SDF, SMILES, flexibase
5.66,14,-12.06,1,7,0, 499.616, 5
49937271
 
#67

eMolecules: 4651083
Molport: MolPort-002-630-768, MolPort-005-973-248
IBScreen: STOCK5S-07624
Pharmeks: PHAR210450
Vitas-M: STK567001...7 total

ref: mol2, SDF, SMILES, flexibase
4.22,13.5,-14.02,0,7,0, 437.503, 4
lo: mol2, SDF, SMILES, flexibase
4.22,14.02,-16.2,1,7,0, 438.511, 4
lo: mol2, SDF, SMILES, flexibase
4.22,14.01,-17.15,1,7,0, 438.511, 4
38182911
 
#68

eMolecules: 4651083
Molport: MolPort-002-630-768, MolPort-005-973-248
IBScreen: STOCK5S-07624
Pharmeks: PHAR210450
Vitas-M: STK567001...7 total

ref: mol2, SDF, SMILES, flexibase
4.22,12.15,-14.36,0,7,0, 437.503, 4
lo: mol2, SDF, SMILES, flexibase
4.22,12.66,-15.16,1,7,0, 438.511, 4
lo: mol2, SDF, SMILES, flexibase
4.22,12.52,-10.37,1,7,0, 438.511, 4
lo: mol2, SDF, SMILES, flexibase
4.22,12.61,-11.06,1,7,0, 438.511, 4
49937270
 
#69

eMolecules: 4651083
Molport: MolPort-002-630-768, MolPort-005-973-248
IBScreen: STOCK5S-07624
Pharmeks: PHAR210450
Vitas-M: STK567001...7 total

ref: mol2, SDF, SMILES, flexibase
4.22,12.07,-11.32,0,7,0, 437.503, 4
lo: mol2, SDF, SMILES, flexibase
4.22,12.59,-14.8,1,7,0, 438.511, 4
lo: mol2, SDF, SMILES, flexibase
4.22,12.55,-17.58,1,7,0, 438.511, 4
38182909
 
#70

Molport: MolPort-005-973-248
Pharmeks: PHAR210450
ref: mol2, SDF, SMILES, flexibase
4.22,13.59,-14.39,0,7,0, 437.503, 4
lo: mol2, SDF, SMILES, flexibase
4.22,14.12,-16.15,1,7,0, 438.511, 4
lo: mol2, SDF, SMILES, flexibase
4.22,13.95,-10.72,1,7,0, 438.511, 4
lo: mol2, SDF, SMILES, flexibase
4.22,14.08,-17.68,1,7,0, 438.511, 4
57173605
 
#71

eMolecules: 30386939
Molport: MolPort-005-973-246
Pharmeks: PHAR210446
Vitas-M: STK637049
57173603
 
#72

eMolecules: 30386939
Molport: MolPort-005-973-246
Pharmeks: PHAR210446
Vitas-M: STK637049
57160256
 
#73

eMolecules: 30383619, 1394307
Molport: MolPort-001-981-832, MolPort-005-973-204
Asinex: BAS02589952
IBScreen: STOCK2S-06643
Pharmeks: PHAR210357...9 total

mid: mol2, SDF, SMILES, flexibase
3.32,6.16,-20.62,2,7,0, 497.374, 6
57160255
 
#74

eMolecules: 30383619, 1394307
Molport: MolPort-001-981-832, MolPort-005-973-204
Asinex: BAS02589952
IBScreen: STOCK2S-06643
Pharmeks: PHAR210357...9 total

mid: mol2, SDF, SMILES, flexibase
3.32,5.76,-20.82,2,7,0, 497.374, 6
mid: mol2, SDF, SMILES, flexibase
3.32,6.38,-21.06,2,7,0, 497.374, 6
49937261
 
#75

eMolecules: 30390576
Molport: MolPort-005-973-165
IBScreen: STOCK2S-59527
Pharmeks: PHAR210261
Vitas-M: STK887387...6 total

ref: mol2, SDF, SMILES, flexibase
3.07,7.84,-25.65,0,5,0, 329.401, 5
49937260
 
#76

eMolecules: 30390576, 2568928
Molport: MolPort-002-569-429, MolPort-005-973-165
ChemDiv: 3331-4275
IBScreen: STOCK2S-59527
Pharmeks: PHAR210261...12 total

ref: mol2, SDF, SMILES, flexibase
3.07,7.41,-59.61,0,5,-1, 329.401, 5
57176074
 
#77

eMolecules: 30389940
Molport: MolPort-005-973-157
Pharmeks: PHAR210250
Vitas-M: STK641946
57176073
 
#78

eMolecules: 30389940
Molport: MolPort-005-973-157
Pharmeks: PHAR210250
Vitas-M: STK641946
49937253
 
#79

eMolecules: 4662816, 30389620
Molport: MolPort-002-635-254, MolPort-005-973-099
IBScreen: STOCK5S-22297
Pharmeks: PHAR210117
Vitas-M: STK641377...8 total

ref: mol2, SDF, SMILES, flexibase
4.85,12.26,-11.95,0,7,0, 456.477, 4
lo: mol2, SDF, SMILES, flexibase
4.85,12.76,-15,1,7,0, 457.485, 4
49937252
 
#80

eMolecules: 4662816, 30389620
Molport: MolPort-002-635-254, MolPort-005-973-099
IBScreen: STOCK5S-22297
Pharmeks: PHAR210117
Vitas-M: STK641377...8 total

ref: mol2, SDF, SMILES, flexibase
4.85,11.76,-15.47,0,7,0, 456.477, 4
lo: mol2, SDF, SMILES, flexibase
4.85,12.27,-15.34,1,7,0, 457.485, 4
49937251
 
#81

eMolecules: 30389620
IBScreen: STOCK5S-22297
Pharmeks: PHAR210117
Vitas-M: STK641377
PubChem: 52329580...5 total

ref: mol2, SDF, SMILES, flexibase
4.85,14.34,-12.14,0,7,0, 456.477, 4
lo: mol2, SDF, SMILES, flexibase
4.85,12.36,-15.3,1,7,0, 457.485, 4
lo: mol2, SDF, SMILES, flexibase
4.85,14.86,-15.25,1,7,0, 457.485, 4
49937250
 
#82

eMolecules: 4662816, 30389620
Molport: MolPort-002-635-254, MolPort-005-973-099
IBScreen: STOCK5S-22297
Pharmeks: PHAR210117
Vitas-M: STK641377...8 total

ref: mol2, SDF, SMILES, flexibase
4.85,13.23,-14.21,0,7,0, 456.477, 4
lo: mol2, SDF, SMILES, flexibase
4.85,13.75,-16.44,1,7,0, 457.485, 4
49937245
 
#83

eMolecules: 30390470, 4650905
Molport: MolPort-002-630-705, MolPort-005-972-963
IBScreen: STOCK5S-07368
Pharmeks: PHAR209802
Vitas-M: STK642745...8 total

ref: mol2, SDF, SMILES, flexibase
3.06,11.07,-13.96,0,8,0, 439.475, 4
lo: mol2, SDF, SMILES, flexibase
3.06,11.59,-15.93,1,8,0, 440.483, 4
lo: mol2, SDF, SMILES, flexibase
3.06,11.55,-16.47,1,8,0, 440.483, 4
lo: mol2, SDF, SMILES, flexibase
3.06,12.07,-53.48,2,8,0, 441.491, 4
49937244
 
#84

eMolecules: 30390470, 4650905
Molport: MolPort-002-630-705, MolPort-005-972-963
IBScreen: STOCK5S-07368
Pharmeks: PHAR209802
Vitas-M: STK642745...8 total

ref: mol2, SDF, SMILES, flexibase
3.06,10.4,-20.18,0,8,0, 439.475, 4
lo: mol2, SDF, SMILES, flexibase
3.06,10.92,-18.56,1,8,0, 440.483, 4
lo: mol2, SDF, SMILES, flexibase
3.06,10.87,-13.33,1,8,0, 440.483, 4
lo: mol2, SDF, SMILES, flexibase
3.06,11.38,-40.13,2,8,0, 441.491, 4
49937243
 
#85

eMolecules: 30390470, 4650905
Molport: MolPort-002-630-705, MolPort-005-972-963
IBScreen: STOCK5S-07368
Pharmeks: PHAR209802
Vitas-M: STK642745...8 total

ref: mol2, SDF, SMILES, flexibase
3.06,10.38,-14.14,0,8,0, 439.475, 4
lo: mol2, SDF, SMILES, flexibase
3.06,10.9,-15.98,1,8,0, 440.483, 4
lo: mol2, SDF, SMILES, flexibase
3.06,10.84,-22.55,1,8,0, 440.483, 4
lo: mol2, SDF, SMILES, flexibase
3.06,11.36,-44.22,2,8,0, 441.491, 4
49937242
 
#86

eMolecules: 30390470, 4650905
Molport: MolPort-002-630-705, MolPort-005-972-963
IBScreen: STOCK5S-07368
Pharmeks: PHAR209802
Vitas-M: STK642745...8 total

ref: mol2, SDF, SMILES, flexibase
3.06,11.68,-19.07,0,8,0, 439.475, 4
lo: mol2, SDF, SMILES, flexibase
3.06,12.2,-18.31,1,8,0, 440.483, 4
lo: mol2, SDF, SMILES, flexibase
3.06,12.18,-22.05,1,8,0, 440.483, 4
lo: mol2, SDF, SMILES, flexibase
3.06,12.7,-62.02,2,8,0, 441.491, 4
49937241
 
#87

eMolecules: 30388716
Molport: MolPort-005-972-952
Pharmeks: PHAR209774
Vitas-M: STK639908
39949968
 
#88

eMolecules: 17672442
Molport: MolPort-005-910-768
IBScreen NP: STOCK1N-71740
Pharmeks: PHAR209752
Mcule Make-on-demand: MCULE-1697709915...5 total

ref: mol2, SDF, SMILES, flexibase
2.47,6.49,-129.64,4,3,2, 264.413, 6
mid: mol2, SDF, SMILES, flexibase
2.47,5.14,-41.91,3,3,1, 263.405, 6
hi: mol2, SDF, SMILES, flexibase
2.46,5.32,-42.63,3,3,1, 263.405, 6

Similar to: 39949967,
39949967
 
#89

eMolecules: 17672442
Molport: MolPort-005-910-768
IBScreen NP: STOCK1N-71740
Pharmeks: PHAR209752
Mcule Make-on-demand: MCULE-1697709915...5 total

ref: mol2, SDF, SMILES, flexibase
2.47,6.49,-129.65,4,3,2, 264.413, 6
mid: mol2, SDF, SMILES, flexibase
2.47,5.14,-41.96,3,3,1, 263.405, 6
hi: mol2, SDF, SMILES, flexibase
2.46,5.34,-42.45,3,3,1, 263.405, 6

Similar to: 39949968,
50590392
 
#90

eMolecules: 26214174
Molport: MolPort-002-622-611
IBScreen: STOCK4S-80573
Otava: 1008992
Pharmeks: PHAR209384...8 total

mid: mol2, SDF, SMILES, flexibase
0.48,15.1,-30.93,1,10,1, 505.551, 10
35268966
 
#91

eMolecules: 6900208, 22019939
Molport: MolPort-005-921-131, MolPort-005-972-719
Scientific Exchange (make on demand): F-303507, F-162540
ChemBridge: 9129621
IBScreen: STOCK6S-49874...14 total

35268965
 
#92

eMolecules: 6900208, 22019939
Molport: MolPort-005-921-131, MolPort-005-972-719
Scientific Exchange (make on demand): F-303507, F-162540
ChemBridge: 9129621
IBScreen: STOCK6S-49874...14 total

49937234
 
#93

eMolecules: 30384429
IBScreen: STOCK5S-11632
Pharmeks: PHAR209228
Vitas-M: STK632916
PubChem: 52329566...5 total

ref: mol2, SDF, SMILES, flexibase
4.88,13.63,-16.27,0,6,0, 492.764, 2
lo: mol2, SDF, SMILES, flexibase
4.88,13.55,-11.82,1,6,0, 493.772, 2
lo: mol2, SDF, SMILES, flexibase
4.88,14.15,-15.05,1,6,0, 493.772, 2
lo: mol2, SDF, SMILES, flexibase
4.88,14.09,-61.68,1,6,0, 493.772, 2
49937233
 
#94

eMolecules: 30384429, 4654309
Molport: MolPort-002-631-997, MolPort-005-972-713
IBScreen: STOCK5S-11632
Pharmeks: PHAR209228
Vitas-M: STK632916...8 total

ref: mol2, SDF, SMILES, flexibase
4.88,12.38,-18.05,0,6,0, 492.764, 2
lo: mol2, SDF, SMILES, flexibase
4.88,12.9,-14.37,1,6,0, 493.772, 2
lo: mol2, SDF, SMILES, flexibase
4.88,12.86,-54.49,1,6,0, 493.772, 2
49937232
 
#95

eMolecules: 30384429, 4654309
Molport: MolPort-002-631-997, MolPort-005-972-713
IBScreen: STOCK5S-11632
Pharmeks: PHAR209228
Vitas-M: STK632916...8 total

ref: mol2, SDF, SMILES, flexibase
4.88,12.98,-17.95,0,6,0, 492.764, 2
lo: mol2, SDF, SMILES, flexibase
4.88,13.5,-14.15,1,6,0, 493.772, 2
lo: mol2, SDF, SMILES, flexibase
4.88,13.41,-59.92,1,6,0, 493.772, 2
49937231
 
#96

eMolecules: 30384429, 4654309
Molport: MolPort-002-631-997, MolPort-005-972-713
IBScreen: STOCK5S-11632
Pharmeks: PHAR209228
Vitas-M: STK632916...8 total

ref: mol2, SDF, SMILES, flexibase
4.88,13.03,-10.9,0,6,0, 492.764, 2
lo: mol2, SDF, SMILES, flexibase
4.88,13.56,-11.82,1,6,0, 493.772, 2
lo: mol2, SDF, SMILES, flexibase
4.88,13.49,-59.51,1,6,0, 493.772, 2
50631462
 
#97

eMolecules: 4663880
Molport: MolPort-002-635-662, MolPort-005-972-711
IBScreen: STOCK5S-23594
Pharmeks: PHAR209223
PubChem: 52335088...6 total

ref: mol2, SDF, SMILES, flexibase
3.55,11.19,-13.27,0,6,0, 346.39, 2
lo: mol2, SDF, SMILES, flexibase
3.55,11.71,-14.49,1,6,0, 347.398, 2
50631459
 
#98

eMolecules: 4663880
Molport: MolPort-002-635-662, MolPort-005-972-711
IBScreen: STOCK5S-23594
Pharmeks: PHAR209223
PubChem: 52335087...6 total

ref: mol2, SDF, SMILES, flexibase
3.55,11.19,-12.41,0,6,0, 346.39, 2
lo: mol2, SDF, SMILES, flexibase
3.55,11.71,-13.92,1,6,0, 347.398, 2
51104368
 
#99

Pharmeks: PHAR209195
ref: mol2, SDF, SMILES, flexibase
2.32,11.4,-18.47,2,8,0, 387.428, 5
49937229
 
#100

eMolecules: 30390866, 4534981
Molport: MolPort-002-592-552, MolPort-005-972-679
IBScreen: STOCK3S-82860
Pharmeks: PHAR209140
Vitas-M: STK643390...8 total

ref: mol2, SDF, SMILES, flexibase
5.57,14.88,-10.96,0,5,0, 475.321, 2
lo: mol2, SDF, SMILES, flexibase
5.57,15.39,-12.19,1,5,0, 476.329, 2

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 = 119 ) limit 0,100

Smiles were