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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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3881298
 
#1

eMolecules: 30595676
AKOS: AKOS004122082
Mcule: MCULE-9769981588
Princeton BioMolecular Research: OSSL_469575
Vitas-M: STL100326...10 total

ref: mol2, SDF, SMILES, flexibase
3.65,-3.16,-12.52,1,5,0, 366.247, 5

Similar to: 15423738,
192890
 
#2

eMolecules: 1073776
Molport: MolPort-000-873-954
Scientific Exchange (make on demand): Z-074408
AKOS: AKOS000121263
Aldrich CPR: S366749|ALDRICH...45 total

ref: mol2, SDF, SMILES, flexibase
2.61,6.71,-46.02,0,3,-1, 238.313, 4

Similar to: 4228062, 7299779, 32206929, 34426668, ... 4 in total.
1809738
 
#3

eMolecules: 1248157, 480227, 614745, 6756092
Molport: MolPort-002-130-766, MolPort-002-939-535, MolPort-028-607-897
Scientific Exchange: POD_04/0443
AKOS: AKOS000606335, AKOS001609215
Aldrich CPR: R233838|ALDRICH...58 total

ref: mol2, SDF, SMILES, flexibase
0.45,-8.07,-46.5,0,4,-1, 288.395, 5
3881283
 
#4

Molport: MolPort-002-900-038
Maybridge: HTS00374
AmpC ligands: 3-(4-Sulfamoyl-pheny
ref: mol2, SDF, SMILES, flexibase
0.80,-10.33,-52.93,3,8,-1, 361.402, 5

Similar to: 49776217,
3881284
 
#5

Molport: MolPort-001-841-432
Maybridge: HTS00474
AmpC ligands: 3-(2-Piperidin-1-yl-
ref: mol2, SDF, SMILES, flexibase
3.07,7.28,-50.69,1,6,-1, 365.456, 5

Similar to: 53133192,
3881285
 
#6

Ark Pharm Building Blocks: AK128975
Chembo Pharma: KB-67570
Tractus: TRA0049938
AmpC ligands: 2,5-Dimethyl-4-(thio
BindingDB.org: 50167947...9 total

ref: mol2, SDF, SMILES, flexibase
1.38,4.01,-54.42,1,6,-1, 300.337, 4
mid: mol2, SDF, SMILES, flexibase
1.38,4.56,-121.33,0,6,-2, 299.329, 4

Similar to: 36983790,
116295
 
#7

Molport: MolPort-002-899-507
Maybridge: GK03169
AmpC ligands: 3-(4-Chloro-phenylsu
UORSY BB Make-on-demand: BBV-5628426
ref: mol2, SDF, SMILES, flexibase
2.78,5.19,-44.49,1,5,-1, 316.767, 4
hi: mol2, SDF, SMILES, flexibase
2.78,5.18,-116.9,0,5,-2, 315.759, 4

Similar to: 37045528,
3881286
 
#8

AmpC ligands: 2-Methyl-4-(toluene-
ref: mol2, SDF, SMILES, flexibase
2.66,-4.28,-55.83,1,5,-1, 310.376, 4
3881287
 
#9

eMolecules: 43016854
Molport: MolPort-011-983-720
AK Scientific: HTS003663
Key Organics Building Blocks: BS-3501
KeyOrganics: BS-3501...17 total

ref: mol2, SDF, SMILES, flexibase
2.78,-4.58,-50.22,1,5,-1, 316.767, 4
3881288
 
#10

AmpC ligands: 2-(4-Chloro-phenylsu
PubChem: 11771345
ref: mol2, SDF, SMILES, flexibase
2.91,5.31,-49.89,1,5,-1, 310.738, 4
362609
 
#11

eMolecules: 840440
Scientific Exchange: POD_48/0106
AKOS: AKOS000269483
Aldrich CPR: S701084|ALDRICH
Chembo Pharma: KB-86909...35 total

ref: mol2, SDF, SMILES, flexibase
3.03,-0.14,-61.54,1,4,-1, 274.683, 3
3881289
 
#12

AmpC ligands: 3-Benzylsulfamoyl-th
PubChem: 11347033
Enamine BB Make on Demand: BBV-5628387
UORSY BB Make-on-demand: BBV-5628387
ref: mol2, SDF, SMILES, flexibase
1.80,-4.93,-49.54,1,5,-1, 296.349, 5
3881290
 
#13

AmpC ligands: 3-(4-Bromo-phenylsul
UORSY BB Make-on-demand: BBV-5628400
ref: mol2, SDF, SMILES, flexibase
2.91,-4.84,-46.23,1,5,-1, 361.218, 4
hi: mol2, SDF, SMILES, flexibase
2.91,-4.28,-114.23,0,5,-2, 360.21, 4
3881291
 
#14

AmpC ligands: 3-(4-Carboxy-phenyls
ref: mol2, SDF, SMILES, flexibase
2.01,5.21,-96.83,1,7,-2, 325.323, 5
hi: mol2, SDF, SMILES, flexibase
2.01,5.24,-196.32,0,7,-3, 324.315, 5
3881292
 
#15

AmpC ligands: 3-(3-Carboxy-phenyls
ref: mol2, SDF, SMILES, flexibase
1.99,-4.48,-113.2,1,7,-2, 325.323, 5
3881293
 
#16

AmpC ligands: 3-(4-Carboxy-3-chlor
ref: mol2, SDF, SMILES, flexibase
2.28,-4.67,-97.54,1,7,-2, 359.768, 5
3881294
 
#17

AmpC ligands: 3-(4-Carboxy-2-hydro
BindingDB.org: 50324682
ChEMBL12: CHEMBL1589929, CHEMBL1222313
ChEMBL12 10uM: CHEMBL1222313
ChEMBL19: CHEMBL1589929...11 total

ref: mol2, SDF, SMILES, flexibase
1.72,2.44,-95.49,2,8,-2, 341.322, 5
mid: mol2, SDF, SMILES, flexibase
1.72,2.44,-194.55,1,8,-3, 340.314, 5
hi: mol2, SDF, SMILES, flexibase
1.72,3.2,-195.87,1,8,-3, 340.314, 5

Similar to: 37789781,
3881295
 
#18

AmpC ligands: 3-(3-Nitro-phenylsul
UORSY BB Make-on-demand: BBV-5628411
ref: mol2, SDF, SMILES, flexibase
2.04,5.38,-50.64,1,8,-1, 327.319, 5
mid: mol2, SDF, SMILES, flexibase
2.04,5.37,-114.67,0,8,-2, 326.311, 5
3881296
 
#19

AmpC ligands: 3-(2-Nitro-phenylsul
ref: mol2, SDF, SMILES, flexibase
2.01,-3.66,-60.23,1,8,-1, 327.319, 5
hi: mol2, SDF, SMILES, flexibase
2.01,-3.27,-128.05,0,8,-2, 326.311, 5
3881297
 
#20

AmpC ligands: 3-(3,4-Dichloro-phen
UORSY BB Make-on-demand: BBV-5628413
ref: mol2, SDF, SMILES, flexibase
3.39,-4.36,-46.16,1,5,-1, 351.212, 4

Similar to: 37045528,
3881299
 
#21

AmpC ligands: 3-(3-Nitro-benzenesu
PubChem: 11416187
Enamine BB Make on Demand: BBV-21715869
UORSY BB Make-on-demand: BBV-21715869
ref: mol2, SDF, SMILES, flexibase
2.04,-3.91,-50.18,1,8,-1, 327.319, 5

Similar to: 7708993, 7709027,

Old detail retrieval took 0 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 = 238 ) limit 0,100

Smiles were