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Analogs

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Popular Name: 4-ethyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfonyl]benzoic 4-ethyl-3-[(5-methyl-1,3,4-oxadi…

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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) 0.63 0.62 -62.38 0 7 -1 113 309.323 5 ↓

Analogs

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Popular Name: 2,4-dimethyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfonyl]benzoic 2,4-dimethyl-5-[(5-methyl-1,3,4-…

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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) 0.21 0.67 -62.35 0 7 -1 113 309.323 4 ↓

Analogs

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Popular Name: 3-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfonyl]benzoic 3-[(5-methyl-1,3,4-oxadiazol-2-y…

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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) -0.67 -0.58 -60.78 0 7 -1 113 281.269 4 ↓

Analogs

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Popular Name: 4-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfonyl]benzoic 4-[(5-methyl-1,3,4-oxadiazol-2-y…

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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) -0.65 -0.57 -55.66 0 7 -1 113 281.269 4 ↓

Analogs

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Popular Name: 4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfonyl]benzoic 4-[(5-ethyl-1,3,4-oxadiazol-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) -0.07 0.18 -54.97 0 7 -1 113 295.296 5 ↓

Analogs

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Popular Name: 2-methoxy-5-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfonyl]benzoic 2-methoxy-5-[(5-methyl-1,3,4-oxa…

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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) -0.58 -0.51 -66.38 0 8 -1 122 311.295 5 ↓

Analogs

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Popular Name: 2-bromo-5-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfonyl]benzoic 2-bromo-5-[(5-methyl-1,3,4-oxadi…

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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) -0.25 -0.09 -57.92 0 7 -1 113 360.165 4 ↓

Analogs

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Popular Name: 2-bromo-5-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfonyl]benzoic 2-bromo-5-[(5-ethyl-1,3,4-oxadia…

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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) 0.32 0.67 -57.19 0 7 -1 113 374.192 5 ↓

Analogs

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Popular Name: 5-chloro-2-fluoro-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfonyl]benzoic 5-chloro-2-fluoro-3-[(5-methyl-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) 0.15 -0.08 -50.5 0 7 -1 113 333.704 4 ↓

Analogs

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Popular Name: 4-methoxy-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfonyl]benzoic 4-methoxy-3-[(5-methyl-1,3,4-oxa…

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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) -0.22 -0.77 -61.85 0 8 -1 122 311.295 5 ↓

Analogs

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Popular Name: 2-methyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfonyl]benzoic 2-methyl-5-[(5-methyl-1,3,4-oxad…

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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) -0.61 0.07 -59.11 0 7 -1 113 295.296 4 ↓

Analogs

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Popular Name: 5-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfonyl]-2-methyl-benzoic 5-[(5-ethyl-1,3,4-oxadiazol-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) -0.04 0.81 -61.28 0 7 -1 113 309.323 5 ↓

Analogs

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Popular Name: 2,6-dichloro-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfonyl]benzoic 2,6-dichloro-3-[(5-methyl-1,3,4-…

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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) 0.67 0.1 -50.15 0 7 -1 113 350.159 4 ↓

Analogs

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Popular Name: 2,4-dichloro-5-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfonyl]benzoic 2,4-dichloro-5-[(5-methyl-1,3,4-…

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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) 0.67 0.22 -52.05 0 7 -1 113 350.159 4 ↓

Analogs

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Popular Name: 4-methyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfonyl]benzoic 4-methyl-3-[(5-methyl-1,3,4-oxad…

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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) 0.17 0.05 -64.39 0 7 -1 113 295.296 4 ↓

Analogs

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Popular Name: 3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfonyl]-4-methyl-benzoic 3-[(5-ethyl-1,3,4-oxadiazol-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) 0.74 0.8 -63.6 0 7 -1 113 309.323 5 ↓

Analogs

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Popular Name: 3-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfonyl]phenyl]propanoic 3-[4-[(5-methyl-1,3,4-oxadiazol-…

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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) -0.61 1.01 -55.11 0 7 -1 113 309.323 6 ↓

Analogs

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Popular Name: 2-fluoro-5-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfonyl]benzoic 2-fluoro-5-[(5-methyl-1,3,4-oxad…

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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) -0.89 -0.55 -62.43 0 7 -1 113 299.259 4 ↓

Analogs

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Popular Name: 5-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfonyl]-2-fluoro-benzoic 5-[(5-ethyl-1,3,4-oxadiazol-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) -0.32 0.21 -61.67 0 7 -1 113 313.286 5 ↓

Analogs

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Popular Name: 4-fluoro-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfonyl]benzoic 4-fluoro-3-[(5-methyl-1,3,4-oxad…

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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) -0.12 -0.55 -55.37 0 7 -1 113 299.259 4 ↓

Analogs

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Popular Name: 3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfonyl]-4-fluoro-benzoic 3-[(5-ethyl-1,3,4-oxadiazol-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) 0.46 0.21 -54.68 0 7 -1 113 313.286 5 ↓

Analogs

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Popular Name: 4-chloro-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfonyl]benzoic 4-chloro-3-[(5-methyl-1,3,4-oxad…

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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) 0.40 -0.16 -54.5 0 7 -1 113 315.714 4 ↓

Analogs

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Popular Name: 4-chloro-3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfonyl]benzoic 4-chloro-3-[(5-ethyl-1,3,4-oxadi…

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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) 0.97 0.59 -53.8 0 7 -1 113 329.741 5 ↓

Analogs

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Popular Name: 2-chloro-5-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfonyl]benzoic 2-chloro-5-[(5-methyl-1,3,4-oxad…

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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) -0.38 -0.19 -58.82 0 7 -1 113 315.714 4 ↓

Analogs

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Popular Name: 2-chloro-5-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfonyl]benzoic 2-chloro-5-[(5-ethyl-1,3,4-oxadi…

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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) 0.19 0.57 -58.12 0 7 -1 113 329.741 5 ↓

Analogs

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Popular Name: 4-bromo-3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfonyl]benzoic 4-bromo-3-[(5-ethyl-1,3,4-oxadia…

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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 0.7 -53.23 0 7 -1 113 374.192 5 ↓

Parameters Provided:

ring.id = 549846
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 = 549846 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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