UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: ethyl ethyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -1.87 3.23 -47.65 1 8 1 97 392.407 7 ↓

Analogs

11821463
11821463

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Popular Name: 2-(5-hydroxyoxadiazol-3-ium-3-yl)-1-[(3R)-3-[(4-isopropylphenyl)amino]-1-piperidyl]ethanone 2-(5-hydroxyoxadiazol-3-ium-3-yl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.47 -0.16 -43.99 2 7 1 82 345.423 5 ↓

Analogs

11821462
11821462

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Popular Name: 2-(5-hydroxyoxadiazol-3-ium-3-yl)-1-[(3S)-3-[(4-isopropylphenyl)amino]-1-piperidyl]ethanone 2-(5-hydroxyoxadiazol-3-ium-3-yl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.47 -0.15 -46.55 2 7 1 82 345.423 5 ↓

Analogs

11840783
11840783

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Popular Name: 2-(5-hydroxyoxadiazol-3-ium-3-yl)-1-[(2R)-2-isohexylmorpholin-4-yl]ethanone 2-(5-hydroxyoxadiazol-3-ium-3-yl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -2.26 0.43 -42.78 1 7 1 80 298.363 6 ↓

Analogs

11840781
11840781

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Popular Name: 2-(5-hydroxyoxadiazol-3-ium-3-yl)-1-[(2S)-2-isohexylmorpholin-4-yl]ethanone 2-(5-hydroxyoxadiazol-3-ium-3-yl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -2.26 0.43 -45.02 1 7 1 80 298.363 6 ↓

Analogs

11843820
11843820

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Popular Name: 1-[(3R)-3-(4-tert-butylbenzoyl)-1-piperidyl]-2-(5-hydroxyoxadiazol-3-ium-3-yl)ethanone 1-[(3R)-3-(4-tert-butylbenzoyl)-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.90 2.24 -46.49 1 7 1 88 372.445 5 ↓

Analogs

11843819
11843819

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Popular Name: 1-[(3S)-3-(4-tert-butylbenzoyl)-1-piperidyl]-2-(5-hydroxyoxadiazol-3-ium-3-yl)ethanone 1-[(3S)-3-(4-tert-butylbenzoyl)-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.90 2.24 -49.68 1 7 1 88 372.445 5 ↓

Analogs

11843925
11843925

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Popular Name: ethyl ethyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -1.85 3.43 -52.42 1 8 1 97 392.407 7 ↓

Analogs

11843924
11843924

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Popular Name: ethyl ethyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -1.85 3.45 -56.48 1 8 1 97 392.407 7 ↓

Analogs

12000284
12000284
20201752
20201752
20201755
20201755

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Popular Name: 1-[(5R)-9-[(2-fluoro-5-methoxy-phenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-2-(5-hydroxyoxadiazol-3 1-[(5R)-9-[(2-fluoro-5-methoxy-p…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -2.34 1.84 -93.38 2 8 2 84 406.458 5 ↓

Analogs

20201752
20201752
20201755
20201755
12000279
12000279

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Popular Name: 1-[(5S)-9-[(2-fluoro-5-methoxy-phenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-2-(5-hydroxyoxadiazol-3 1-[(5S)-9-[(2-fluoro-5-methoxy-p…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -2.34 1.83 -88.73 2 8 2 84 406.458 5 ↓

Analogs

12004905
12004905

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Popular Name: 2-(5-hydroxyoxadiazol-3-ium-3-yl)-N-[(3S)-1-(1-naphthylmethyl)-5-oxo-pyrrolidin-3-yl]acetamide 2-(5-hydroxyoxadiazol-3-ium-3-yl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -2.74 -1.14 -53.78 2 8 1 100 367.385 5 ↓

Analogs

12004901
12004901

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Popular Name: 2-(5-hydroxyoxadiazol-3-ium-3-yl)-N-[(3R)-1-(1-naphthylmethyl)-5-oxo-pyrrolidin-3-yl]acetamide 2-(5-hydroxyoxadiazol-3-ium-3-yl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -2.74 -1.12 -52.87 2 8 1 100 367.385 5 ↓

Analogs

12023853
12023853

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Popular Name: N-[(4R)-1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(5-hydroxyoxadiazol-3-ium-3-yl)acet N-[(4R)-1-(2,4-difluorophenyl)-4…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -3.15 1.38 -48.93 2 8 1 97 376.343 4 ↓

Analogs

12023848
12023848

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Popular Name: N-[(4S)-1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(5-hydroxyoxadiazol-3-ium-3-yl)acet N-[(4S)-1-(2,4-difluorophenyl)-4…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -3.15 1.36 -47.93 2 8 1 97 376.343 4 ↓
Ref Reference (pH 7) -3.15 6.35 -36.07 1 8 0 100 375.335 4 ↓

Analogs

12210495
12210495

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Popular Name: 2-(5-hydroxyoxadiazol-3-ium-3-yl)-1-[(3R)-3-[4-(trifluoromethyl)benzoyl]-1-piperidyl]ethanone 2-(5-hydroxyoxadiazol-3-ium-3-yl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -1.71 3.25 -47.09 1 7 1 88 384.334 5 ↓

Analogs

12210488
12210488

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Popular Name: 2-(5-hydroxyoxadiazol-3-ium-3-yl)-1-[(3S)-3-[4-(trifluoromethyl)benzoyl]-1-piperidyl]ethanone 2-(5-hydroxyoxadiazol-3-ium-3-yl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -1.71 3.25 -50.46 1 7 1 88 384.334 5 ↓

Analogs

3631146
3631146
3631147
3631147
3631149
3631149

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Popular Name: 1,2,3-oxadiazolium, 5-amino-3-cyclohexyl-, inner salt, monohydrochloride 1,2,3-oxadiazolium, 5-amino-3-cy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -2.27 1.92 -29.72 2 4 1 56 168.22 1 ↓

Analogs

3631149
3631149
3631150
3631150

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Popular Name: 1,2,3-oxadiazolium, 5-amino-3-butyl-, inner salt, monohydrochloride 1,2,3-oxadiazolium, 5-amino-3-bu…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -2.74 1.06 -32.69 2 4 1 56 142.182 3 ↓

Analogs

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Popular Name: 5-propyloxadiazole-4-thiol 5-propyloxadiazole-4-thiol

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.70 2.95 -36.82 0 3 -1 39 143.191 2 ↓

Analogs

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Popular Name: Ethyl5-methyl-1,2,3-oxadiazole-4-carboxylate Ethyl5-methyl-1,2,3-oxadiazole-4…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.56 2.42 -5.36 0 5 0 65 156.141 3 ↓

Parameters Provided:

ring.id = 48057
filter.purchasability = annotated
page.format = targets
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Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 48057 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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