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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: 4-ethyl-3-[(5-methylisoxazol-3-yl)methylsulfonyl]benzoic 4-ethyl-3-[(5-methylisoxazol-3-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) 2.54 5.4 -63.6 0 6 -1 100 308.335 5 ↓

Analogs

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Popular Name: 2,4-dimethyl-5-[(5-methylisoxazol-3-yl)methylsulfonyl]benzoic 2,4-dimethyl-5-[(5-methylisoxazo…

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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 5.44 -60.47 0 6 -1 100 308.335 4 ↓

Analogs

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Popular Name: 4-[(5-methylisoxazol-3-yl)methylsulfonyl]benzoic 4-[(5-methylisoxazol-3-yl)methyl…

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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) 1.26 4.21 -54.82 0 6 -1 100 280.281 4 ↓

Analogs

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Popular Name: 3-[(5-methylisoxazol-3-yl)methylsulfonyl]benzoic 3-[(5-methylisoxazol-3-yl)methyl…

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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) 1.23 4.2 -55.74 0 6 -1 100 280.281 4 ↓

Analogs

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Popular Name: 5-bromo-2-fluoro-3-[(5-methylisoxazol-3-yl)methylsulfonyl]benzoic 5-bromo-2-fluoro-3-[(5-methyliso…

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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) 2.19 4.81 -54.28 0 6 -1 100 377.167 4 ↓

Analogs

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Popular Name: 2-bromo-5-[(5-methylisoxazol-3-yl)methylsulfonyl]benzoic 2-bromo-5-[(5-methylisoxazol-3-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) 1.66 4.69 -52.94 0 6 -1 100 359.177 4 ↓

Analogs

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Popular Name: 5-chloro-2-fluoro-3-[(5-methylisoxazol-3-yl)methylsulfonyl]benzoic 5-chloro-2-fluoro-3-[(5-methylis…

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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) 2.06 4.71 -54.35 0 6 -1 100 332.716 4 ↓

Analogs

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Popular Name: 4-methoxy-3-[(5-methylisoxazol-3-yl)methylsulfonyl]benzoic 4-methoxy-3-[(5-methylisoxazol-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) 1.68 4.01 -58.28 0 7 -1 110 310.307 5 ↓

Analogs

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Popular Name: 3,4-dimethyl-5-[(5-methylisoxazol-3-yl)methylsulfonyl]benzoic 3,4-dimethyl-5-[(5-methylisoxazo…

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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) 2.45 5.33 -60.06 0 6 -1 100 308.335 4 ↓

Analogs

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Popular Name: 2-methyl-5-[(5-methylisoxazol-3-yl)methylsulfonyl]benzoic 2-methyl-5-[(5-methylisoxazol-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) 1.30 4.85 -57.01 0 6 -1 100 294.308 4 ↓

Analogs

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Popular Name: 2,6-dichloro-3-[(5-methylisoxazol-3-yl)methylsulfonyl]benzoic 2,6-dichloro-3-[(5-methylisoxazo…

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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) 2.57 4.88 -54.15 0 6 -1 100 349.171 4 ↓

Analogs

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Popular Name: 4-methyl-3-[(5-methylisoxazol-3-yl)methylsulfonyl]benzoic 4-methyl-3-[(5-methylisoxazol-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) 2.07 4.82 -65.43 0 6 -1 100 294.308 4 ↓

Analogs

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Popular Name: 2-fluoro-5-[(5-methylisoxazol-3-yl)methylsulfonyl]benzoic 2-fluoro-5-[(5-methylisoxazol-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) 1.01 4.24 -57.29 0 6 -1 100 298.271 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-3-[(5-methylisoxazol-3-yl)methylsulfonyl]benzoic 4-fluoro-3-[(5-methylisoxazol-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) 1.79 4.24 -52.56 0 6 -1 100 298.271 4 ↓

Analogs

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Popular Name: 2,6-difluoro-3-[(5-methylisoxazol-3-yl)methylsulfonyl]benzoic 2,6-difluoro-3-[(5-methylisoxazo…

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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 4.23 -62.33 0 6 -1 100 316.261 4 ↓

Analogs

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Popular Name: 4-chloro-3-[(5-methylisoxazol-3-yl)methylsulfonyl]benzoic 4-chloro-3-[(5-methylisoxazol-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) 2.30 4.61 -51.77 0 6 -1 100 314.726 4 ↓

Analogs

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Popular Name: 2-chloro-5-[(5-methylisoxazol-3-yl)methylsulfonyl]benzoic 2-chloro-5-[(5-methylisoxazol-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) 1.53 4.6 -53.81 0 6 -1 100 314.726 4 ↓

Analogs

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Popular Name: 3-[(2-methoxyphenyl)sulfonylmethyl]-5-methyl-isoxazole 3-[(2-methoxyphenyl)sulfonylmeth…

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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) 1.80 3.44 -17.34 0 5 0 69 267.306 4 ↓

Analogs

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Popular Name: 5-methyl-3-(m-tolylsulfonylmethyl)isoxazole 5-methyl-3-(m-tolylsulfonylmethy…

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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) 1.77 4.31 -15.48 0 4 0 60 251.307 3 ↓

Parameters Provided:

ring.id = 489756
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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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 = 489756 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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