UCSF banner
Search Results
Initial search took 0 second(s).
Beginning : #1 Hits: 100 Display:   per page=

Download: Show Detail?
Done
ZINC ID
Supplier information; Representations
Properties:xLogP, ap & p desolvation, HBD,HBA,Charge,Mwt,NRB
Annotations; Similarity
Structure

Click for quick 3D display
90960
 
#1

eMolecules: 5771268
Molport: MolPort-002-891-408
Maybridge: BTB05703
Otava (Virtual): 4589607
AmpC non-binders: N1-(5-METHYLISOXAZOL...9 total

ref: mol2, SDF, SMILES, flexibase
2.30,-1.78,-10.36,1,5,0, 290.703, 3
hi: mol2, SDF, SMILES, flexibase
2.30,-1.22,-38.71,0,5,-1, 289.695, 3

Similar to: 37055188,
172877
 
#2

eMolecules: 5846824
Molport: MolPort-002-910-252
Maybridge: NRB00073
AmpC non-binders: N1-(2-CYANOPHENYL)-2
ChemDB: 4766937...6 total

ref: mol2, SDF, SMILES, flexibase
1.51,-1.28,-9.81,2,4,0, 295.367, 5
2018543
 
#3

AK Scientific: Z3639
Ark Pharm Building Blocks: AK-60077
Tetrahedron Building Blocks: TS25896
AKOS BB (make-on-demand): AKOS015888433
Alfa Chemistry (Depleted): ACM16118493...20 total

ref: mol2, SDF, SMILES, flexibase
1.49,-1.57,-11.35,2,5,0, 236.271, 5

Similar to: 5760412, 36457321, 1532142,
1532142
 
#4

AKOS BB (make-on-demand): AKOS015888433
Alfa Chemistry (Depleted): ACM16118493
AmpC non-binders: CARBETAMIDE
Apollo Scientific (Depleted): OR59917
BOC Sciences BB (Depleted): 16118-45-9...17 total

ref: mol2, SDF, SMILES, flexibase
1.49,-1.57,-11.21,2,5,0, 236.271, 5

Similar to: 2018543, 5760412, 36457321,
3841500
 
#5

Molport: MolPort-002-866-019
Capot Chemical: 12358
KeyOrganics: 3P-001
Mcule: MCULE-4897746577
Molport BB: MolPort-002-866-019...13 total

ref: mol2, SDF, SMILES, flexibase
0.74,3.05,-9.6,1,6,0, 278.308, 5

Similar to: 5913295, 38732986,
1395533
 
#6

KeyOrganics: 12A-069
AmpC non-binders: 4-CHLORO-N-[(2,2-DIM
ChemDB: 4694095
PubChem: 1482243
AKOS (make-on-demand): AKOS005079570...6 total

ref: mol2, SDF, SMILES, flexibase
3.35,3.51,-7.56,1,4,0, 255.701, 4
6655930
 
#7

Molport: MolPort-002-868-883
AKOS: AKOS005090245
Asinex Building Blocks: BAS33502440
KeyOrganics: 4M-441S
Matrix Scientific: 068194...15 total

ref: mol2, SDF, SMILES, flexibase
1.82,5.92,-43.33,0,5,-1, 216.22, 4
mid: mol2, SDF, SMILES, flexibase
1.82,6.33,-9.4,1,5,0, 217.228, 4
lo: mol2, SDF, SMILES, flexibase
1.82,6.1,-10.6,1,5,0, 217.228, 4

Similar to: 38764291,
3841502
 
#8

Molport: MolPort-002-874-723
KeyOrganics: 6L-595S
Mcule: MCULE-5326728923
AmpC non-binders: 2-(METHYLSULFINYL)BE
ChEMBL12: CHEMBL1572251...11 total

ref: mol2, SDF, SMILES, flexibase
2.71,6.06,-18.32,1,4,0, 323.801, 5
3841503
 
#9

Molport: MolPort-002-874-723
KeyOrganics: 6L-595S
Mcule: MCULE-5326728923
AmpC non-binders: 2-(METHYLSULFINYL)BE
ChEMBL12: CHEMBL1572251...11 total

ref: mol2, SDF, SMILES, flexibase
2.71,5.73,-14.5,1,4,0, 323.801, 5
1400927
 
#10

Molport: MolPort-002-880-134
KeyOrganics: 8K-436S
Mcule: MCULE-7184195356
AmpC non-binders: 3-(TRIFLUOROMETHYL)-
ChemDB: 4720362...9 total

ref: mol2, SDF, SMILES, flexibase
2.92,-0.07,-12.6,1,5,0, 377.291, 5
hi: mol2, SDF, SMILES, flexibase
2.92,0.5,-33.3,0,5,-1, 376.283, 5
638548
 
#11

AmpC non-binders: Methane,-(methylsulf
ChemDB: 6660542
PubChem: 4161721
SureChEMBL: SCHEMBL6544173
ref: mol2, SDF, SMILES, flexibase
0.66,-8.83,-15.3,0,6,0, 374.461, 5

Similar to: 39246498,
2570194
 
#12

Molport BB: MolPort-003-844-509
Toronto Research Chemicals: A606550
AmpC non-binders: 2-AMINO-3,7-DIMETHYL
ChemDB: 6045383
Leadscope via PubChem: LS-80550...7 total

ref: mol2, SDF, SMILES, flexibase
1.27,-2.66,-16.06,2,5,0, 213.244, 0
97949
 
#13

eMolecules: 637726
AKOS: AKOS000677856
Aldrich CPR: R471283|ALDRICH
Asinex: BAS00928362
BioBlocks: A2223/0093617...61 total

ref: mol2, SDF, SMILES, flexibase
3.36,5.74,-9.33,2,4,0, 234.262, 1
1031693
 
#14

eMolecules: 5792270
Molport: MolPort-002-925-643
Maybridge: SPB04994
AmpC non-binders: 5-[2-(3-Chloro-pheno
ChemDB: 4786025...6 total

ref: mol2, SDF, SMILES, flexibase
5.68,1.38,-9.36,0,4,0, 396.899, 5
3078803
 
#15

eMolecules: 5843905
Molport: MolPort-002-888-661
Maybridge: AW00445
Maybridge Hit Finder: AW00445
AmpC non-binders: 1-[5-(2-Methyl-thiaz...7 total

ref: mol2, SDF, SMILES, flexibase
4.13,-8.48,-15.18,0,7,0, 503.7, 5
2489917
 
#16

eMolecules: 1059829
Molport: MolPort-001-814-817
Scientific Exchange (make on demand): H-049721
AKOS: AKOS001061515
Aldrich CPR: S547034|ALDRICH...29 total

ref: mol2, SDF, SMILES, flexibase
0.26,1.16,-15.95,2,5,0, 204.185, 2

Similar to: 6117314,
123518
 
#17

eMolecules: 1054014
Scientific Exchange: Z-047437
AKOS: AKOS000631194
Aldrich CPR: S47970|ALDRICH
Asinex: BAS00380529...27 total

ref: mol2, SDF, SMILES, flexibase
2.78,7.05,-16.77,1,5,0, 294.31, 3

Similar to: 6383868, 6535828, 7263909, 7595552, 7597157, ... 12 in total.
144116
 
#18

eMolecules: 4339343
Molport: MolPort-002-491-681
Florida Heterocyclic Compounds: 27355
Maybridge: DP00864
Maybridge Hit Finder: DP00864...11 total

ref: mol2, SDF, SMILES, flexibase
0.79,7.93,-21.05,3,6,0, 247.283, 4
3135303
 
#19

eMolecules: 5778930
Molport: MolPort-002-913-363
Maybridge: RF01639
AmpC non-binders: 2,4-DICHLORO-1-[[([[
ChemDB: 4770979...7 total

ref: mol2, SDF, SMILES, flexibase
5.26,3.72,-11.61,1,4,0, 377.149, 5
3841539
 
#20

eMolecules: 16261327
Molport: MolPort-007-820-533
AKOS: AKOS001976822
Mcule: MCULE-4799595364
AmpC non-binders: N2-(4-METHOXYPHENYL)...9 total

ref: mol2, SDF, SMILES, flexibase
4.12,-1.57,-9.45,1,6,0, 404.391, 6
hi: mol2, SDF, SMILES, flexibase
4.12,-0.99,-38.32,0,6,-1, 403.383, 6
1047742
 
#21

eMolecules: 5792960
Molport: MolPort-002-924-799
Maybridge: SPB03246
AmpC non-binders: N1-(5-ETHYL-1,3,4-TH
ChemDB: 4785130...7 total

ref: mol2, SDF, SMILES, flexibase
2.68,-2.49,-11.44,1,6,0, 353.347, 6
3841541
 
#22

eMolecules: 5792896
Molport: MolPort-002-924-201
Maybridge: SPB02159
AmpC non-binders: ETHYL-2-[(3-FLUOROAN
ChemDB: 4784477...6 total

ref: mol2, SDF, SMILES, flexibase
1.70,-3.14,-12.85,3,5,0, 257.29, 6

Similar to: 6262596, 6941513,
4172313
 
#23

AmpC non-binders: N-[(3-TOLUIDINOCARBO
ref: mol2, SDF, SMILES, flexibase
3.85,-0.22,-6.41,2,4,0, 256.733, 6

Similar to: 4172312,
3841542
 
#24

eMolecules: 5821355
Molport: MolPort-002-897-224
Maybridge: CD11584
Maybridge Hit Finder: CD11584
Otava (Virtual): 7468290...8 total

ref: mol2, SDF, SMILES, flexibase
1.45,-2.95,-5.77,2,6,0, 321.16, 6
2582129
 
#25

Fluorochem: 340758
KeyOrganics: MS-6006
Ryan Scientific: 096-49338
AmpC non-binders: 2-(4-Oxo-3,4-dihydro
ChemDB: 6477691...7 total

ref: mol2, SDF, SMILES, flexibase
4.23,-1.13,-13.63,2,6,0, 395.362, 6
3841549
 
#26

eMolecules: 1055640
AKOS: AKOS001437835
Innovapharm: STT-00194776
KeyOrganics: MS-8984
Mcule: MCULE-6706904853...18 total

ref: mol2, SDF, SMILES, flexibase
1.75,6.75,-20.67,1,5,0, 308.403, 3
hi: mol2, SDF, SMILES, flexibase
1.57,6.49,-55.31,0,5,-1, 307.395, 4
lo: mol2, SDF, SMILES, flexibase
1.57,6.73,-43.35,2,5,1, 309.411, 4
3841548
 
#27

eMolecules: 1055640
AKOS: AKOS001437835
Innovapharm: STT-00194776
KeyOrganics: MS-8984
Mcule: MCULE-6706904853...17 total

ref: mol2, SDF, SMILES, flexibase
1.57,6.4,-17.26,1,5,0, 308.403, 4
hi: mol2, SDF, SMILES, flexibase
1.57,6.47,-54.56,0,5,-1, 307.395, 4
lo: mol2, SDF, SMILES, flexibase
1.57,6.68,-38.07,2,5,1, 309.411, 4
396557
 
#28

Aldrich CPR: S638366|ALDRICH
TimTec: ST50550116
AmpC non-binders: FURFURYL-N-(2-CHLORO
ChemDB: 6665876
PubChem: 3259731...5 total

ref: mol2, SDF, SMILES, flexibase
3.13,0.72,-7.03,1,4,0, 251.669, 4
2172973
 
#29

Aldrich CPR: S801674|ALDRICH
TimTec: ST50554586
AmpC non-binders: 2-BUTENYL-N-(2-(TRIF
ChemDB: 6672470
PubChem: 5076211...6 total

ref: mol2, SDF, SMILES, flexibase
3.61,2.92,-5.39,1,3,0, 259.227, 5

Similar to: 13952691,
2041900
 
#30

Aldrich CPR: S789410|ALDRICH
TimTec: ST50554186
AmpC non-binders: CARBOBENZYLOXY-L-LEU
ChemDB: 6671884
PubChem: 231152...5 total

ref: mol2, SDF, SMILES, flexibase
2.64,-5.4,-9.66,4,6,0, 279.34, 7

Similar to: 32256676, 32256678,
1634138
 
#31

Aldrich CPR: S789410|ALDRICH
TimTec: ST50554186
AmpC non-binders: CARBOBENZYLOXY-L-LEU
ChemDB: 6671884
PubChem: 231152...7 total

ref: mol2, SDF, SMILES, flexibase
2.64,-5.4,-14.4,4,6,0, 279.34, 7

Similar to: 32256676, 32256678,
1678278
 
#32

Aldrich CPR: S790273|ALDRICH
Molport BB: MolPort-001-833-387
TimTec: ST50554199
AmpC non-binders: CARBOBENZYLOXYGLYCYL
ChemDB: 6144351...7 total

ref: mol2, SDF, SMILES, flexibase
1.01,-2,-9.93,2,7,0, 280.28, 8

Similar to: 2166432, 3200645,
401679
 
#33

eMolecules: 1301553
Molport: MolPort-001-887-105
Scientific Exchange (make on demand): POD_43/0120
Asinex: BAS01048218
Chemical Block: A2188/0092022...16 total

ref: mol2, SDF, SMILES, flexibase
0.84,4.15,-39.46,1,5,-1, 201.209, 2
mid: mol2, SDF, SMILES, flexibase
0.84,4.31,-6.63,2,5,0, 202.217, 2
hi: mol2, SDF, SMILES, flexibase
0.84,4.13,-39.66,1,5,-1, 201.209, 2

Similar to: 5730447, 5730597,
395129
 
#34

Aldrich CPR: S595489|ALDRICH
TimTec: ST50548661
AmpC non-binders: 2-PYRIDYL-N-(2-CHLOR
ChemDB: 6664128
PubChem: 4191611...5 total

ref: mol2, SDF, SMILES, flexibase
3.07,-0.6,-9.96,1,4,0, 248.669, 3
lo: mol2, SDF, SMILES, flexibase
3.07,-0.9,-26.35,2,4,1, 249.677, 3
24096
 
#35

AK Scientific: V9493
Alfa-Aesar: H62085
Amadis Chemical: A845145
Apexmol Building Blocks: AM81792
Ark Pharm Building Blocks: AK-44796...43 total

ref: mol2, SDF, SMILES, flexibase
0.27,0.06,-9.92,3,5,0, 208.217, 5

Similar to: 22116328, 34363869, 39039589,
91957
 
#36

eMolecules: 5774748
Molport: MolPort-002-891-749
Maybridge: BTB06522
AmpC non-binders: 3-[[(2-OXOAZEPAN-3-Y
ChemDB: 4740629...7 total

ref: mol2, SDF, SMILES, flexibase
-0.36,1.07,-14.18,1,5,0, 238.287, 4

Similar to: 4955153, 4955156,
3838192
 
#37

eMolecules: 5774748
Molport: MolPort-002-891-749
Maybridge: BTB06522
AmpC non-binders: 3-[[(2-OXOAZEPAN-3-Y
ChemDB: 4740629...7 total

ref: mol2, SDF, SMILES, flexibase
-0.36,2.44,-12.8,1,5,0, 238.287, 4

Similar to: 4955153, 4955156,
67832
 
#38

AmpC non-binders: 2-[(4-[[4-(DIMETHYLA
ChemDB: 4738061
PubChem: 25272543, 2796787
ref: mol2, SDF, SMILES, flexibase
1.10,-1.09,-47.13,1,6,-1, 324.36, 6
3841492
 
#39

eMolecules: 5799107
Molport: MolPort-002-892-747
Maybridge: BTB08764
AmpC non-binders: 2-([2-[ALLYL(PHENYLS
ChemDB: 4741772...7 total

ref: mol2, SDF, SMILES, flexibase
1.07,-3.25,-60.99,1,7,-1, 373.41, 8
143615
 
#40

eMolecules: 706649
Scientific Exchange (make on demand): K-089214
ACB Blocks: PCA-0041
AK Scientific: 5701AD
AKOS: AKOS000112031...64 total

ref: mol2, SDF, SMILES, flexibase
0.07,3.97,-46.42,0,5,-1, 208.193, 3
143617
 
#41

eMolecules: 706649
Scientific Exchange (make on demand): K-089214
ACB Blocks: PCA-0041
AK Scientific: 5701AD
AKOS: AKOS000112031...64 total

ref: mol2, SDF, SMILES, flexibase
0.07,3.97,-45.31,0,5,-1, 208.193, 3
106376
 
#42

eMolecules: 726184
AK Scientific: 5788AD, HTS000321
AKOS: AKOS000198920
Aldrich CPR: CDS011359|ALDRICH
Ark Pharm Building Blocks: AK-60270...51 total

ref: mol2, SDF, SMILES, flexibase
1.44,-0.12,-47.85,0,4,-1, 252.677, 3

Similar to: 5786089,
106379
 
#43

eMolecules: 726184
AK Scientific: 5788AD, HTS000321
AKOS: AKOS000198920
Aldrich CPR: CDS011359|ALDRICH
Ark Pharm Building Blocks: AK-60270...51 total

ref: mol2, SDF, SMILES, flexibase
1.44,-0.09,-47.72,0,4,-1, 252.677, 3

Similar to: 5786089,
2022619
 
#44

ChemMol: 30200556
eMolecules: 533586
Molport: MolPort-001-791-874
AKOS: AKOS000169438
Aldrich CPR: S777129|ALDRICH...61 total

ref: mol2, SDF, SMILES, flexibase
1.91,7.1,-50.13,1,5,-1, 282.341, 8

Similar to: 2585966, 2585969, 32134537, 32134541, 34460149, ... 5 in total.
1675889
 
#45

ChemMol: 97800951, 30200556, 30201402
eMolecules: 510584
Molport: MolPort-001-791-874
Scientific Exchange (make on demand): Q-036870
Acros Organics: 44261...93 total

ref: mol2, SDF, SMILES, flexibase
1.91,7.19,-50.02,1,5,-1, 282.341, 8

Similar to: 2585966, 2585969, 32134537, 32134541, 34460149, ... 5 in total.
154477
 
#46

ChemMol: 1030783, 30202540, 44004929
eMolecules: 533486
Enolase via KEGG (EFI): C03710_1
Molport: MolPort-001-780-152, MolPort-001-983-368
Acros Organics: 10835...112 total

ref: mol2, SDF, SMILES, flexibase
-0.12,2.99,-42.09,1,5,-1, 208.193, 5

Similar to: 34543825,
3841498
 
#47

Chembo Pharma: KB-166670
AKOS BB (make-on-demand): AKOS015908858
AmpC non-binders: N-(2-CHLORONICOTINOY
Apollo Scientific (Depleted): OR25114
ChemDB: 4731102...8 total

ref: mol2, SDF, SMILES, flexibase
-0.57,-1.52,-57.54,1,5,-1, 287.748, 6
2539746
 
#48

American Custom Chemicals Corp.: HCH0018168
Ark Pharm Building Blocks: AK-59964
Chembo Pharma: KB-166670
FineTech: FT-0610891
Tetrahedron Building Blocks: TS35183...13 total

ref: mol2, SDF, SMILES, flexibase
-0.57,-1.52,-57.54,1,5,-1, 287.748, 6
1712905
 
#49

ChemMol: 96707654
eMolecules: 528502
Molport: MolPort-001-787-696
AK Scientific: 2940AE
Alfa-Aesar: L08290...36 total

ref: mol2, SDF, SMILES, flexibase
2.26,1.42,-49.24,0,3,-1, 205.233, 6

Similar to: 2168376, 2168378, 2378750, 2378751, 2579947, ... 14 in total.
288578
 
#50

eMolecules: 642873
AKOS: AKOS000301507
Aldrich CPR: R518271|ALDRICH
Asinex: BAS00782638
Asinex Building Blocks: BAS00782638...28 total

ref: mol2, SDF, SMILES, flexibase
2.17,0.95,-50.17,0,6,-1, 292.34, 6

Similar to: 4169146, 7557154, 19854472,
2243916
 
#51

Molport: MolPort-002-857-190
KeyOrganics: 12M-005
Mcule: MCULE-7149955081
AmpC non-binders: 2-[3-(3-FLUOROBENZYL
ChEMBL19: CHEMBL1875861...10 total

ref: mol2, SDF, SMILES, flexibase
-0.45,6.23,-46.62,0,7,-1, 279.203, 4

Similar to: 41909518, 41909522,
2164048
 
#52

Aldrich CPR: S567507|ALDRICH
Alfa-Aesar: H66802
Ark Pharm Building Blocks: AK129307
Bachem: C-1085
Bide Pharmatech BB: BD156905...17 total

ref: mol2, SDF, SMILES, flexibase
1.11,-2.81,-43.34,2,7,-1, 279.272, 7

Similar to: 2164047,
2164047
 
#53

Aldrich CPR: S765244|ALDRICH, S567507|ALDRICH
Bachem: C-1080
Indofine: 04-193
Molport BB: MolPort-003-913-092
Tetrahedron Building Blocks: TS54316...15 total

ref: mol2, SDF, SMILES, flexibase
1.11,-2.82,-43.34,2,7,-1, 279.272, 7

Similar to: 2164048,
3841504
 
#54

Aldrich CPR: PH002062|ALDRICH
AmpC non-binders: Z-ALA-SER-OH
ChemDB: 4687294
PubChem: 4210575
ref: mol2, SDF, SMILES, flexibase
-0.08,-4.99,-57.59,3,8,-1, 309.298, 8

Similar to: 34579361, 34579363, 39033294, 39292045, 39292047, ... 11 in total.
2561175
 
#55

Aldrich CPR: PH002062|ALDRICH
Bachem: C-1215
Florida Heterocyclic Compounds: 32852
Tetrahedron Building Blocks: TS76394
AmpC non-binders: Z-ALA-SER-OH...8 total

ref: mol2, SDF, SMILES, flexibase
-0.08,-4.99,-54.89,3,8,-1, 309.298, 8

Similar to: 34579361, 34579363, 39033294, 39292045, 39292047, ... 11 in total.
3841505
 
#56

Aldrich CPR: PH002062|ALDRICH
AmpC non-binders: Z-ALA-SER-OH
ChemDB: 4687294
PubChem: 70402996, 4210575, 69093444
SureChEMBL: SCHEMBL10608051...8 total

ref: mol2, SDF, SMILES, flexibase
-0.08,-4.99,-54.87,3,8,-1, 309.298, 8

Similar to: 34579361, 34579363, 39033294, 39292045, 39292047, ... 11 in total.
3841506
 
#57

Aldrich CPR: PH002062|ALDRICH
AmpC non-binders: Z-ALA-SER-OH
ChemDB: 4687294
PubChem: 70402996, 4210575, 69092043
SureChEMBL: SCHEMBL10608051...8 total

ref: mol2, SDF, SMILES, flexibase
-0.08,-4.99,-57.58,3,8,-1, 309.298, 8

Similar to: 34579361, 34579363, 39033294, 39292045, 39292047, ... 11 in total.
3841507
 
#58

Aldrich CPR: R813885|ALDRICH
TimTec: ST50565600
AmpC non-binders: P-NITROPHENYLCARBOBE
ChemDB: 6647596
PubChem: 3306985...6 total

ref: mol2, SDF, SMILES, flexibase
2.88,0.58,-51.39,1,8,-1, 343.315, 8

Similar to: 5059662, 5059663, 38238254, 39957014, 39957015, ... 8 in total.
2379262
 
#59

Aldrich CPR: R813885|ALDRICH
American Custom Chemicals Corp.: CCH0007726
TimTec: ST50565600
AmpC non-binders: P-NITROPHENYLCARBOBE
ChemDB: 6647596...10 total

ref: mol2, SDF, SMILES, flexibase
2.88,0.59,-51.4,1,8,-1, 343.315, 8

Similar to: 3841507, 5059662, 5059663, 38238254, 39957014, ... 8 in total.
395627
 
#60

Molport: MolPort-002-929-930
Chembo Pharma: KB-244666
Element Store BB: b2star-5262-10-2
Mcule: MCULE-4739491162
Molport BB: MolPort-002-929-930...22 total

ref: mol2, SDF, SMILES, flexibase
-0.32,-3.29,-44.76,2,6,-1, 261.257, 4

Similar to: 34545463, 38259318,
395629
 
#61

Molport: MolPort-002-929-930
Chembo Pharma: KB-244666
Element Store BB: b2star-5262-10-2
Mcule: MCULE-4739491162
Molport BB: MolPort-002-929-930...21 total

ref: mol2, SDF, SMILES, flexibase
-0.32,-3.26,-45,2,6,-1, 261.257, 4

Similar to: 34545463, 38259318,
395626
 
#62

Molport: MolPort-002-929-930
AK Scientific: V0114
American Custom Chemicals Corp.: CCH0009042
Bachem: G-1695
Chembo Pharma: KB-244666...40 total

ref: mol2, SDF, SMILES, flexibase
-0.32,3.13,-43.08,2,6,-1, 261.257, 4
lo: mol2, SDF, SMILES, flexibase
-0.32,1.15,-10.09,3,6,0, 262.265, 4

Similar to: 34545463, 38259318,
395628
 
#63

Molport: MolPort-002-929-930
Chembo Pharma: KB-244666
Element Store BB: b2star-5262-10-2
Mcule: MCULE-4739491162
Molport BB: MolPort-002-929-930...23 total

ref: mol2, SDF, SMILES, flexibase
-0.32,-3.34,-44.33,2,6,-1, 261.257, 4

Similar to: 34545463, 38259318,
3841512
 
#64

Acros Organics: 10817
Anward: ANW-41911
Mcule: MCULE-4407988272
Sigma Aldrich (Building Blocks): C204|ALDRICH
Tractus: TRA0050652...13 total

ref: mol2, SDF, SMILES, flexibase
2.10,-8.45,-48.59,2,7,-1, 357.367, 3

Similar to: 5765196,
12358966
 
#65

Acros Organics: 10817
AK Scientific: Z3636
Alfa-Aesar: B21482
Anward: ANW-41911
BioSynth: W-202292...35 total

ref: mol2, SDF, SMILES, flexibase
2.10,-7.94,-52.9,2,7,-1, 357.367, 3

Similar to: 5765196,
3841514
 
#66

Chembo Pharma: KB-123852
AmpC non-binders: [5-(4-fluoro-phenyl)
PubChem: 40467566
Enamine BB Make on Demand: BBV-45640763
ref: mol2, SDF, SMILES, flexibase
1.90,1.42,-48.52,0,5,-1, 266.277, 4

Similar to: 32127445, 32127447,
3097908
 
#67

eMolecules: 25565080
AKOS: AKOS005446363
Aldrich CPR: R429368|ALDRICH
Molport BB: MolPort-006-309-224
TimTec: ST50561431...13 total

ref: mol2, SDF, SMILES, flexibase
0.18,-8.19,-45.05,0,4,-1, 274.368, 4
3156491
 
#68

Molport: MolPort-001-937-777
AKOS: AKOS000606377
Asinex: BAS00536111
TimTec: ST50730341, ST50998487
AmpC non-binders: 3-(Benzothiazol-2-yl...12 total

ref: mol2, SDF, SMILES, flexibase
-0.47,-10.52,-48.66,1,5,-1, 304.394, 5
3156492
 
#69

Molport: MolPort-001-937-777
AKOS: AKOS000606377
Asinex: BAS00536111
TimTec: ST50730341, ST50998487
AmpC non-binders: 3-(Benzothiazol-2-yl...12 total

ref: mol2, SDF, SMILES, flexibase
-0.47,-10.4,-48.56,1,5,-1, 304.394, 5
2477901
 
#70

eMolecules: 2328636, 1189537
Molport: MolPort-007-563-345, MolPort-001-922-871
Scientific Exchange: POD_04/0403
AKOS: AKOS000546101, AKOS001643241
Asinex: BAS00313044...25 total

ref: mol2, SDF, SMILES, flexibase
-0.20,-8.27,-46.74,0,5,-1, 272.327, 5
122660
 
#71

eMolecules: 1353068
Molport: MolPort-000-901-099
Scientific Exchange (make on demand): R-044741
AKOS: AKOS000206223
Aldrich CPR: PH010738|ALDRICH...37 total

ref: mol2, SDF, SMILES, flexibase
1.86,5.13,-51.57,1,4,-1, 221.261, 4
113984
 
#72

eMolecules: 832051
Scientific Exchange (make on demand): POD_04/0439, Z-097238
AKOS: AKOS000121545
Aldrich CPR: S997501|ALDRICH
Alinda: IBS-L0139427...78 total

ref: mol2, SDF, SMILES, flexibase
2.34,5.91,-44.71,0,3,-1, 224.286, 3

Similar to: 6150967,
101228
 
#73

eMolecules: 631864
Molport: MolPort-001-792-894
Aldrich CPR: R435732|ALDRICH
Alfa-Aesar: L06208
Chembo Pharma: KB-177465...20 total

ref: mol2, SDF, SMILES, flexibase
3.07,0.38,-45.8,0,2,-1, 231.296, 4

Similar to: 39647797,
2491382
 
#74

Molport: MolPort-002-706-624
AKOS: AKOS001727245
Mcule: MCULE-8055488374
AmpC non-binders: 5-(Benzothiazol-2-yl
ChemBlock (Depleted): A2118/0088910...12 total

ref: mol2, SDF, SMILES, flexibase
3.38,-1.42,-50.45,0,3,-1, 266.367, 6
3651466
 
#75

eMolecules: 723972
Scientific Exchange: L27/027
Acros Organics: BTB12838
AK Scientific: Y9422
AKOS: AKOS000116579...54 total

ref: mol2, SDF, SMILES, flexibase
0.76,5.63,-47.36,0,5,-1, 235.215, 4
lo: mol2, SDF, SMILES, flexibase
0.76,3.66,-10.79,1,5,0, 236.223, 4
266772
 
#76

eMolecules: 706201
Scientific Exchange (make on demand): F-337870
ACB Blocks: PCA-0002
AK Scientific: 9592AD, HTS009174
AKOS: AKOS000114239...73 total

ref: mol2, SDF, SMILES, flexibase
1.22,7.5,-47.66,0,4,-1, 232.259, 4
lo: mol2, SDF, SMILES, flexibase
1.22,5.55,-13.57,1,4,0, 233.267, 4

Similar to: 34371395, 34371397, 34371399, 34935460, ... 4 in total.
266775
 
#77

eMolecules: 706201
Scientific Exchange (make on demand): F-337870
ACB Blocks: PCA-0002
AK Scientific: 9592AD, HTS009174
AKOS: AKOS000114239...72 total

ref: mol2, SDF, SMILES, flexibase
1.22,7.55,-42.19,0,4,-1, 232.259, 4
lo: mol2, SDF, SMILES, flexibase
1.22,5.55,-11.06,1,4,0, 233.267, 4

Similar to: 34371395, 34371397, 34371399, 34935460, 44660487, ... 8 in total.
2156670
 
#78

Chembo Pharma: KB-193253
AmpC non-binders: 4-Methyl-3-[4-(2,3,3
Apollo Scientific (Depleted): OR24369
ChemDB: 4730369
Debye Scientific BB (Depleted): DB-017791...8 total

ref: mol2, SDF, SMILES, flexibase
3.44,-5.21,-64.18,2,7,-1, 468.747, 6
hi: mol2, SDF, SMILES, flexibase
3.44,-4.64,-135.49,1,7,-2, 467.739, 6
131947
 
#79

eMolecules: 884467
AK Scientific: Y4840
AKOS: AKOS000215330
Chembo Pharma: KB-162924
Enamine: Z57052857...37 total

ref: mol2, SDF, SMILES, flexibase
3.37,7.96,-46.33,0,3,-1, 264.713, 3
3841522
 
#80

eMolecules: 5821795
Molport: MolPort-002-899-508
Maybridge: GK03171
AmpC non-binders: 3-[2-(3-Carboxy-prop
ChemDB: 4749988...7 total

ref: mol2, SDF, SMILES, flexibase
2.92,0.61,-57.79,1,7,-1, 382.801, 8
323616
 
#81

eMolecules: 610422
Molport: MolPort-001-834-431
AKOS: AKOS002125580
Aldrich CPR: R179191|ALDRICH
ChemDiv: K783-0774...17 total

ref: mol2, SDF, SMILES, flexibase
2.61,-2.39,-50.99,0,0,-1, 332.401, 5

Similar to: 34935487,
6135070
 
#82

eMolecules: 25566132
AKOS: AKOS005447889
TimTec: ST50999185
Alfa Chemistry (Depleted): ACM94231615
AmpC non-binders: Sodium;-3-(1H-benzim...13 total

ref: mol2, SDF, SMILES, flexibase
-0.30,2.27,-46.81,1,5,-1, 271.343, 5
50909
 
#83

eMolecules: 851990
Molport: MolPort-015-160-938
Scientific Exchange (make on demand): POD_48/0986
Aldrich CPR: S205257|ALDRICH
Alinda: IBS-L0159135...40 total

ref: mol2, SDF, SMILES, flexibase
1.51,5.91,-49.14,0,4,-1, 263.294, 4
40092
 
#84

Florida Heterocyclic Compounds: 3021
AmpC non-binders: (2-Phenylsulfanyl-ac
ChEMBL12: CHEMBL450364
ChEMBL19: CHEMBL450364
ChemDB: 4664204...11 total

ref: mol2, SDF, SMILES, flexibase
-0.19,3.87,-44.13,1,4,-1, 224.261, 5

Similar to: 36977186, 36977188,
40044
 
#85

eMolecules: 647703
Molport: MolPort-001-839-833
Aldrich CPR: R549495|ALDRICH
Maybridge: BTB14099
TimTec: ST50450361...12 total

ref: mol2, SDF, SMILES, flexibase
0.49,5.31,-40.85,1,4,-1, 258.706, 5
150347
 
#86

eMolecules: 5773291
Molport: MolPort-002-889-979
Maybridge: BTB02605
Maybridge Hit Finder: BTB02605
AmpC non-binders: [3-(3,4,5-Trimethoxy...8 total

ref: mol2, SDF, SMILES, flexibase
-0.29,-0.25,-47.03,1,7,-1, 296.299, 8

Similar to: 30693081, 36487922, 36487923,
2164054
 
#87

Aldrich CPR: S342718|ALDRICH
NCI Plated 2007: 89569
TimTec: ST50545279
AmpC non-binders: [2-(2-Bromo-3-phenyl
ChemDB: 6657868...6 total

ref: mol2, SDF, SMILES, flexibase
-0.11,-3.96,-43.21,2,6,-1, 342.169, 7

Similar to: 1575464,
1575464
 
#88

Aldrich CPR: S342718|ALDRICH
TimTec: ST50545279
AmpC non-binders: [2-(2-Bromo-3-phenyl
ChemDB: 6657868
PubChem: 259563...5 total

ref: mol2, SDF, SMILES, flexibase
-0.11,-3.96,-43.22,2,6,-1, 342.169, 7

Similar to: 2164054,
1782160
 
#89

eMolecules: 534995
Molport: MolPort-001-794-406
AK Scientific: V1415
AKOS: AKOS000264181
Aldrich CPR: S451363|ALDRICH...43 total

ref: mol2, SDF, SMILES, flexibase
-0.30,6.69,-54.92,1,4,-1, 252.315, 6

Similar to: 5746801, 5746804, 16248632, 16248634, 16248636, ... 15 in total.
1640309
 
#90

eMolecules: 534995
Molport: MolPort-001-794-406
AK Scientific: V1415, 0693AA
AKOS: AKOS000264181
Aldrich CPR: S451363|ALDRICH...53 total

ref: mol2, SDF, SMILES, flexibase
-0.30,6.76,-54.65,1,4,-1, 252.315, 6

Similar to: 5746801, 5746804, 16248632, 16248634, 16248636, ... 15 in total.
155678
 
#91

ChemMol: 44011131, 97800977, 30202403
eMolecules: 531399
Molport: MolPort-002-501-590
Scientific Exchange (make on demand): Z-032763
Acros Organics: 44197...119 total

ref: mol2, SDF, SMILES, flexibase
1.46,3.9,-42.68,1,5,-1, 222.22, 5

Similar to: 34321259,
230485
 
#92

ChemMol: 97800977, 30116907, 44011131, 30202402
eMolecules: 483900, 531399
Molport: MolPort-002-501-590, MolPort-001-794-399
Scientific Exchange (make on demand): Z-032763
Acros Organics: 16900...150 total

ref: mol2, SDF, SMILES, flexibase
1.46,3.9,-42.66,1,5,-1, 222.22, 5

Similar to: 34321259,
3841530
 
#93

eMolecules: 440255
Scientific Exchange (make on demand): POD_74/0300
AKOS: AKOS000200803
Alfa-Aesar: A12347
Alinda: IBS-L0127345...40 total

ref: mol2, SDF, SMILES, flexibase
-0.58,4.35,-39.27,1,7,-1, 223.164, 4

Similar to: 36885004, 37993347,
51016
 
#94

ChemMol: 44011521, 30202733, 44024989
eMolecules: 536571
Molport: MolPort-002-507-074
AKOS: AKOS000189553
Alfa-Aesar: L08384...82 total

ref: mol2, SDF, SMILES, flexibase
0.49,0.78,-55.38,2,6,-1, 238.219, 6
51015
 
#95

ChemMol: 44004930, 83601056, 44011521, 30202733, 97800115
eMolecules: 536571
Molport: MolPort-002-507-074
Acros Organics: 22951
ACT Chemical BB: ACT05621...100 total

ref: mol2, SDF, SMILES, flexibase
0.49,0.78,-55.39,2,6,-1, 238.219, 6

Similar to: 34321259,
38797
 
#96

eMolecules: 440269
Molport: MolPort-001-016-037
Scientific Exchange (make on demand): T-030065, POD_74/0299
AK Scientific: Z4087
AKOS: AKOS000116620...62 total

ref: mol2, SDF, SMILES, flexibase
-0.48,2.94,-43.11,1,5,-1, 208.193, 4

Similar to: 33790330, 37993273,
150226
 
#97

eMolecules: 4925412
Molport: MolPort-002-887-603
Enamine Building Blocks: EN300-141712
KeyOrganics: MS-3050
Maybridge: BTB02520...18 total

ref: mol2, SDF, SMILES, flexibase
-0.30,2.67,-50.37,1,4,-1, 214.147, 3
164343
 
#98

eMolecules: 5825112
Molport: MolPort-002-904-667
Matrix Scientific: 056690
Maybridge: JFD03881
Molport BB: MolPort-002-904-667...16 total

ref: mol2, SDF, SMILES, flexibase
-0.25,-4.05,-44.91,3,6,-1, 258.637, 4

Similar to: 164346, 164348, 164349, 6091344, 6091346, ... 7 in total.
164348
 
#99

eMolecules: 5825112
Molport: MolPort-002-904-667
AK Scientific: 5637AD
Ark Pharm Building Blocks: AK-59954
Chembo Pharma: KB-105237...26 total

ref: mol2, SDF, SMILES, flexibase
-0.25,-4.62,-44.88,3,6,-1, 258.637, 4

Similar to: 164349, 6091344, 6091346, 6091347, 6091348, ... 7 in total.
164346
 
#100

eMolecules: 5825112
Molport: MolPort-002-904-667
Ark Pharm Building Blocks: AK144218
Bide Pharmatech BB: BD42805
Chembo Pharma: KB-105513...27 total

ref: mol2, SDF, SMILES, flexibase
-0.25,-4.61,-44.99,3,6,-1, 258.637, 4

Similar to: 164348, 164349, 6091344, 6091346, 6091347, ... 7 in total.

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 = 239 ) limit 0,100

Smiles were