UCSF banner
Search Results
Initial search took 1 second(s).
Beginning : #1 Hits: 16 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
2584039
 
#1

Acros Organics: 37833
ACT Chemical BB: ACT09113
AK Scientific: 8260AD, Y1415
AKOS: AKOS015832956
Apeiron Synthesis: AS1001...53 total

ref: mol2, SDF, SMILES, flexibase
1.88,6.28,-24.48,0,2,1, 307.461, 2

Similar to: 35879995,
2529855
 
#2

ChemMol: 83601635
Molport: MolPort-019-904-403
Acros Organics: 37834, 38242
AK Scientific: Y5782
AKOS: AKOS015832942...51 total

ref: mol2, SDF, SMILES, flexibase
3.44,8.21,-23.39,0,2,1, 391.623, 6

Similar to: 34660928,
2584038
 
#3

ChemMol: 44017100, 83601631
Acros Organics: 35619
AKOS: AKOS015833176
Alfa-Aesar: H27535
Angene Building Blocks: AGN-PC-0O27Y0...50 total

ref: mol2, SDF, SMILES, flexibase
2.32,5.8,-22.78,0,2,1, 305.445, 2

Similar to: 33794167, 33794169, 39365328,
2584042
 
#4

ChemMol: 44017073, 2101178
Acros Organics: 37831
AK Scientific: W4827
AKOS: AKOS015909582
Alfa-Aesar: H27150...55 total

ref: mol2, SDF, SMILES, flexibase
3.88,7.57,-21.32,0,2,1, 389.607, 6
15230307
 
#5

Apeiron Synthesis: AS1007
Chembo Pharma: KB-47517
ChemDB: 4110616
PubChem: 20675047, 3741651
SureChEMBL: SCHEMBL4854841...6 total

ref: mol2, SDF, SMILES, flexibase
5.84,11.83,-4.8,0,2,0, 292.426, 3

Similar to: 32253468,
13399963
 
#6

eMolecules: 207084010
Molport: MolPort-002-843-803, MolPort-019-781-954
AKOS: AKOS004909627
Apeiron Synthesis: AS1008
Ark Pharm Building Blocks: AK131260...89 total

ref: mol2, SDF, SMILES, flexibase
7.40,15.57,-3.83,0,2,0, 376.588, 7

Similar to: 34558564,
2182710
 
#7

eMolecules: 26799030
Molport: MolPort-019-727-570, MolPort-002-843-799
AKOS: AKOS001502565
Apeiron Synthesis: AS1009
Mcule: MCULE-4038226063...13 total

ref: mol2, SDF, SMILES, flexibase
4.24,8.79,-5.06,0,2,0, 236.318, 3
ref: mol2, SDF, SMILES, flexibase
4.24,8.14,-4.82,0,2,0, 236.318, 3
ref: mol2, SDF, SMILES, flexibase
4.24,8.43,-5.22,0,2,0, 236.318, 3

Similar to: 32253468,
33915400
 
#8

ChemMol: 30115256
AK Scientific: 6152AA
Anward: ANW-67179
Apeiron Synthesis: AS1010
APIChem: AC-9499...17 total

ref: mol2, SDF, SMILES, flexibase
3.81,10.62,-3.22,2,2,0, 296.458, 5

Similar to: 34622377,
33799789
 
#9

AK Scientific: 6153AA
Anward: ANW-60574
Apeiron Synthesis: AS1011
Ark Pharm Building Blocks: AK-89671
BePharm Building Blocks: B141830...22 total

ref: mol2, SDF, SMILES, flexibase
5.37,14.73,-2.03,2,2,0, 380.62, 9

Similar to: 36995322, 36995334,
1848479
 
#10

eMolecules: 631735
Molport: MolPort-001-823-121
AKOS: AKOS003627044
Aldrich CPR: R434442|ALDRICH
Alfa-Aesar: B24971...31 total

ref: mol2, SDF, SMILES, flexibase
4.08,7.62,-4.21,2,2,0, 240.35, 5

Similar to: 5161335, 26481184, 32008624, 34581394, 34622377, ... 5 in total.
71787763
 
#11

Apeiron Synthesis: AS1015, AS1003
Alfa Chemistry (Depleted): ACM475578188
PubChem: 56846651, 53362454
SureChEMBL: SCHEMBL818463, SCHEMBL1950329, SCHEMBL819095
ref: mol2, SDF, SMILES, flexibase
0.28,13.72,-24.71,0,2,1, 251.353, 2

Similar to: 35879995,
71787764
 
#12

Apeiron Synthesis: AS1018, AS1006
Alfa Chemistry (Depleted): ACM475578122
PubChem: 53497784, 56846652
SureChEMBL: SCHEMBL819354, SCHEMBL1155764, SCHEMBL820586
ref: mol2, SDF, SMILES, flexibase
0.50,13.69,-24.42,0,2,1, 249.337, 2
34605737
 
#13

Apeiron Synthesis: AS1025
PubChem: 15605852
SureChEMBL: SCHEMBL2151040, SCHEMBL12531898
ref: mol2, SDF, SMILES, flexibase
2.13,16.72,-29.93,0,4,0, 348.446, 3

Similar to: 2528752,
34850040
 
#14

Apeiron Synthesis: AS1026
PubChem: 15984494
SureChEMBL: SCHEMBL11966861
ref: mol2, SDF, SMILES, flexibase
3.69,20.87,-29.88,0,4,0, 432.608, 7
36425693
 
#15

Apeiron Synthesis: AS1023
Alfa Chemistry (Depleted): ACM260054475
PubChem: 11774625
SureChEMBL: SCHEMBL1010858
ref: mol2, SDF, SMILES, flexibase
7.86,15.66,-2.61,0,2,0, 425.831, 3
72319565
 
#16

Apeiron Synthesis: AS1024
SureChEMBL: SCHEMBL1012076
ref: mol2, SDF, SMILES, flexibase
8.88,18.4,-1.76,0,2,0, 509.993, 7

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 = 542 ) limit 0,100

Smiles were