UCSF
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Analogs

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Popular Name: (1,1-dioxo-1,2-thiazolidin-2-yl)-[4-(trifluoromethyl)phenyl]methanone (1,1-dioxo-1,2-thiazolidin-2-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) 1.78 3.45 -14.64 0 4 0 54 293.266 2 ↓

Analogs

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Popular Name: (1,1-dioxo-1,2-thiazolidin-2-yl)-[3-(trifluoromethyl)phenyl]methanone (1,1-dioxo-1,2-thiazolidin-2-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) 1.75 3.43 -15.16 0 4 0 54 293.266 2 ↓

Analogs

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Popular Name: (2,4-difluorophenyl)-(1,1-dioxo-1,2-thiazolidin-2-yl)methanone (2,4-difluorophenyl)-(1,1-dioxo-…

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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) 1.14 2.72 -14.93 0 4 0 54 261.249 1 ↓

Analogs

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Popular Name: (1,1-dioxo-1,2-thiazolidin-2-yl)-[4-(trifluoromethoxy)phenyl]methanone (1,1-dioxo-1,2-thiazolidin-2-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) 1.85 2.26 -15.03 0 5 0 64 309.265 3 ↓

Analogs

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Popular Name: (4-butoxyphenyl)-(1,1-dioxo-1,2-thiazolidin-2-yl)methanone (4-butoxyphenyl)-(1,1-dioxo-1,2-…

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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) 2.38 4.28 -16.61 0 5 0 64 297.376 5 ↓

Analogs

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Popular Name: (1,1-dioxo-1,2-thiazolidin-2-yl)-(3-isobutoxyphenyl)methanone (1,1-dioxo-1,2-thiazolidin-2-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) 2.04 4.18 -19.26 0 5 0 64 297.376 4 ↓

Analogs

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Popular Name: (1,1-dioxo-1,2-thiazolidin-2-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanone (1,1-dioxo-1,2-thiazolidin-2-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) 4.87 3.92 -14.1 0 4 0 54 325.333 3 ↓

Analogs

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Popular Name: [4-(difluoromethylsulfanyl)phenyl]-(1,1-dioxo-1,2-thiazolidin-2-yl)methanone [4-(difluoromethylsulfanyl)pheny…

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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 3.73 -17.11 0 4 0 54 307.343 3 ↓

Analogs

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Popular Name: (1,1-dioxo-1,2-thiazolidin-2-yl)-(2-methyl-5-methylsulfanyl-phenyl)methanone (1,1-dioxo-1,2-thiazolidin-2-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) 1.69 4.19 -18.31 0 4 0 54 285.39 2 ↓

Analogs

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Popular Name: [3-(difluoromethoxy)phenyl]-(1,1-dioxo-1,2-thiazolidin-2-yl)methanone [3-(difluoromethoxy)phenyl]-(1,1…

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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) 1.47 2.02 -17.99 0 5 0 64 291.275 3 ↓

Analogs

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Popular Name: (1,1-dioxo-1,2-thiazolidin-2-yl)-(4-pentoxyphenyl)methanone (1,1-dioxo-1,2-thiazolidin-2-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) 2.88 5.06 -16.61 0 5 0 64 311.403 6 ↓

Analogs

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Popular Name: [3,5-bis(trifluoromethyl)phenyl]-(1,1-dioxo-1,2-thiazolidin-2-yl)methanone [3,5-bis(trifluoromethyl)phenyl]…

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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) 2.60 4.47 -14.02 0 4 0 54 361.263 3 ↓

Analogs

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Popular Name: (1,1-dioxo-1,2-thiazolidin-2-yl)-(4-isopentyloxyphenyl)methanone (1,1-dioxo-1,2-thiazolidin-2-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) 2.59 4.8 -16.47 0 5 0 64 311.403 5 ↓

Analogs

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Popular Name: (1,1-dioxo-1,2-thiazolidin-2-yl)-(4-hexoxyphenyl)methanone (1,1-dioxo-1,2-thiazolidin-2-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) 3.39 5.84 -16.56 0 5 0 64 325.43 7 ↓

Analogs

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Popular Name: (1,1-dioxo-1,2-thiazolidin-2-yl)-(3-propoxyphenyl)methanone (1,1-dioxo-1,2-thiazolidin-2-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) 1.79 3.49 -19.34 0 5 0 64 283.349 4 ↓

Analogs

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Popular Name: (4-allyloxyphenyl)-(1,1-dioxo-1,2-thiazolidin-2-yl)methanone (4-allyloxyphenyl)-(1,1-dioxo-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) 1.58 3.28 -16.97 0 5 0 64 281.333 4 ↓

Analogs

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Popular Name: (4-bromo-3-fluoro-phenyl)-(1,1-dioxo-1,2-thiazolidin-2-yl)methanone (4-bromo-3-fluoro-phenyl)-(1,1-d…

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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) 1.78 3.12 -13.63 0 4 0 54 322.155 1 ↓

Analogs

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Popular Name: (1,1-dioxo-1,2-thiazolidin-2-yl)-(2-methyl-5-nitro-phenyl)methanone (1,1-dioxo-1,2-thiazolidin-2-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) 1.22 3.9 -19.87 0 7 0 100 284.293 2 ↓

Parameters Provided:

ring.id = 277162
filter.purchasability = annotated
page.format = targets
page.num = 1

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 = 277162 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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