UCSF
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Analogs

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Popular Name: 2-(2,5-dichlorophenyl)sulfanyl-1-(3-hydroxyazetidin-1-yl)ethanone 2-(2,5-dichlorophenyl)sulfanyl-1…

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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) 2.22 3.94 -13.51 1 3 0 41 292.187 3 ↓

Analogs

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Popular Name: 2-(4-bromo-2,5-dimethyl-phenyl)sulfanyl-1-(3-hydroxyazetidin-1-yl)ethanone 2-(4-bromo-2,5-dimethyl-phenyl)s…

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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) 2.50 4.71 -13.13 1 3 0 41 330.247 3 ↓

Analogs

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Popular Name: 1-(3-hydroxyazetidin-1-yl)-2-(4-nitrophenyl)sulfanyl-ethanone 1-(3-hydroxyazetidin-1-yl)-2-(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) 0.90 3.68 -16.07 1 6 0 86 268.294 4 ↓

Analogs

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Popular Name: 1-(3-hydroxyazetidin-1-yl)-2-(4-methoxyphenyl)sulfanyl-ethanone 1-(3-hydroxyazetidin-1-yl)-2-(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) 1.00 2.25 -14.68 1 4 0 50 253.323 4 ↓

Analogs

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Popular Name: (2S)-2-(4-chlorophenyl)sulfanyl-1-(3-hydroxyazetidin-1-yl)propan-1-one (2S)-2-(4-chlorophenyl)sulfanyl-…

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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) 1.98 3.9 -12.52 1 3 0 41 271.769 3 ↓

Analogs

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Popular Name: (2R)-2-(4-chlorophenyl)sulfanyl-1-(3-hydroxyazetidin-1-yl)propan-1-one (2R)-2-(4-chlorophenyl)sulfanyl-…

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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) 1.98 3.93 -12.62 1 3 0 41 271.769 3 ↓

Analogs

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Popular Name: 2-(4-bromophenyl)sulfanyl-1-(3-hydroxyazetidin-1-yl)ethanone 2-(4-bromophenyl)sulfanyl-1-(3-h…

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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) 1.75 3.59 -13.13 1 3 0 41 302.193 3 ↓

Analogs

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Popular Name: 2-(4-fluorophenyl)sulfanyl-1-(3-hydroxyazetidin-1-yl)ethanone 2-(4-fluorophenyl)sulfanyl-1-(3-…

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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) 1.10 3.03 -13.62 1 3 0 41 241.287 3 ↓

Analogs

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Popular Name: 1-(3-hydroxyazetidin-1-yl)-2-(o-tolylsulfanyl)ethanone 1-(3-hydroxyazetidin-1-yl)-2-(o-…

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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) 1.34 3.53 -13.89 1 3 0 41 237.324 3 ↓

Analogs

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Popular Name: 2-(4-chlorophenyl)sulfanyl-1-(3-hydroxyazetidin-1-yl)ethanone 2-(4-chlorophenyl)sulfanyl-1-(3-…

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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) 1.62 3.48 -13.23 1 3 0 41 257.742 3 ↓

Analogs

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Popular Name: 2-(2-chlorophenyl)sulfanyl-1-(3-hydroxyazetidin-1-yl)ethanone 2-(2-chlorophenyl)sulfanyl-1-(3-…

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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) 1.57 3.42 -15.8 1 3 0 41 257.742 3 ↓

Analogs

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Popular Name: 1-(3-hydroxyazetidin-1-yl)-2-(p-tolylsulfanyl)ethanone 1-(3-hydroxyazetidin-1-yl)-2-(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) 1.39 3.64 -14.07 1 3 0 41 237.324 3 ↓

Analogs

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Popular Name: 2-(2-fluorophenyl)sulfanyl-1-(3-hydroxyazetidin-1-yl)ethanone 2-(2-fluorophenyl)sulfanyl-1-(3-…

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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) 1.05 3.01 -17.3 1 3 0 41 241.287 3 ↓

Analogs

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Popular Name: 1-(3-hydroxyazetidin-1-yl)-2-phenylsulfanyl-ethanone 1-(3-hydroxyazetidin-1-yl)-2-phe…

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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) 0.94 2.96 -14.13 1 3 0 41 223.297 3 ↓

Analogs

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Popular Name: 2-(2,4-difluorophenyl)sulfanyl-1-(3-hydroxyazetidin-1-yl)ethanone 2-(2,4-difluorophenyl)sulfanyl-1…

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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) 1.19 3.08 -15.86 1 3 0 41 259.277 3 ↓

Analogs

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Popular Name: 2-(3,4-difluorophenyl)sulfanyl-1-(3-hydroxyazetidin-1-yl)ethanone 2-(3,4-difluorophenyl)sulfanyl-1…

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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) 1.19 3.08 -13.41 1 3 0 41 259.277 3 ↓

Analogs

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Popular Name: 2-(2,5-dimethylphenyl)sulfanyl-1-(3-hydroxyazetidin-1-yl)ethanone 2-(2,5-dimethylphenyl)sulfanyl-1…

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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) 1.76 4.2 -13.91 1 3 0 41 251.351 3 ↓

Analogs

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Popular Name: 2-(4-bromo-2-methyl-phenyl)sulfanyl-1-(3-hydroxyazetidin-1-yl)ethanone 2-(4-bromo-2-methyl-phenyl)sulfa…

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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) 2.12 4.15 -12.93 1 3 0 41 316.22 3 ↓

Analogs

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Popular Name: 2-(4-ethoxyphenyl)sulfanyl-1-(3-hydroxyazetidin-1-yl)ethanone 2-(4-ethoxyphenyl)sulfanyl-1-(3-…

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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) 1.37 3.18 -14.45 1 4 0 50 267.35 5 ↓

Analogs

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Popular Name: 1-(azetidin-1-yl)-2-(4-methoxyphenyl)sulfanyl-ethanone 1-(azetidin-1-yl)-2-(4-methoxyph…

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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) 1.91 5.69 -11.94 0 3 0 30 237.324 4 ↓

Analogs

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Popular Name: 1-(azetidin-1-yl)-2-(2,5-difluorophenyl)sulfanyl-ethanone 1-(azetidin-1-yl)-2-(2,5-difluor…

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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) 2.11 6.51 -11.99 0 2 0 20 243.278 3 ↓

Analogs

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Popular Name: 2-(4-aminophenyl)sulfanyl-1-(azetidin-1-yl)ethanone 2-(4-aminophenyl)sulfanyl-1-(aze…

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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) 0.93 4.26 -12.07 2 3 0 46 222.313 3 ↓

Analogs

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Popular Name: 2-(2-amino-4-methyl-phenyl)sulfanyl-1-(azetidin-1-yl)ethanone 2-(2-amino-4-methyl-phenyl)sulfa…

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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 5.02 -11.13 2 3 0 46 236.34 3 ↓

Analogs

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Popular Name: 2-(4-amino-2-methyl-phenyl)sulfanyl-1-(azetidin-1-yl)ethanone 2-(4-amino-2-methyl-phenyl)sulfa…

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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) 1.31 4.83 -11.77 2 3 0 46 236.34 3 ↓

Analogs

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Popular Name: 2-(4-amino-2-fluoro-phenyl)sulfanyl-1-(azetidin-1-yl)ethanone 2-(4-amino-2-fluoro-phenyl)sulfa…

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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) 1.02 4.31 -15.16 2 3 0 46 240.303 3 ↓

Analogs

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Popular Name: 2-(2-amino-4-fluoro-phenyl)sulfanyl-1-(azetidin-1-yl)ethanone 2-(2-amino-4-fluoro-phenyl)sulfa…

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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) 1.43 4.42 -11.01 2 3 0 46 240.303 3 ↓

Analogs

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Popular Name: 2-(2-amino-6-chloro-phenyl)sulfanyl-1-(azetidin-1-yl)ethanone 2-(2-amino-6-chloro-phenyl)sulfa…

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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) 1.92 4.92 -11.29 2 3 0 46 256.758 3 ↓

Analogs

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Popular Name: 2-(4-amino-2-chloro-phenyl)sulfanyl-1-(azetidin-1-yl)ethanone 2-(4-amino-2-chloro-phenyl)sulfa…

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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) 1.54 4.72 -13.66 2 3 0 46 256.758 3 ↓

Analogs

43403374
43403374

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Popular Name: 2-(2-amino-4-bromo-phenyl)sulfanyl-1-(azetidin-1-yl)ethanone 2-(2-amino-4-bromo-phenyl)sulfan…

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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) 2.07 4.98 -10.48 2 3 0 46 301.209 3 ↓

Parameters Provided:

ring.id = 276838
filter.purchasability = annotated
page.format = targets
page.num = 1

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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 = 276838 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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