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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-(3,5-dimethylisoxazol-4-yl)sulfonyl-4-(3-methoxyphenyl)-piperazine 1-(3,5-dimethylisoxazol-4-yl)sul…

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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) 1.73 -3.86 -11.9 0 7 0 75 351.428 4 ↓

Analogs

7059447
7059447

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Popular Name: 1-(3,5-dimethylisoxazol-4-yl)sulfonyl-4-(2,3-dimethylphenyl)-piperazine 1-(3,5-dimethylisoxazol-4-yl)sul…

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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 6.27 -9.37 0 6 0 67 349.456 3 ↓

Analogs

7059447
7059447

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3,5-dimethylisoxazol-4-yl)sulfonyl-4-(2,5-dimethylphenyl)-piperazine 1-(3,5-dimethylisoxazol-4-yl)sul…

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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) 2.52 7.22 -9.75 0 6 0 67 349.456 3 ↓
Mid Mid (pH 6-8) 2.52 7.08 -44.68 1 6 1 68 350.464 3 ↓

Analogs

7059447
7059447

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Popular Name: 1-(3,5-dimethylisoxazol-4-yl)sulfonyl-4-(4-fluorophenyl)-piperazine 1-(3,5-dimethylisoxazol-4-yl)sul…

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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) 1.86 -3.15 -11.4 0 6 0 66 339.392 3 ↓

Analogs

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Popular Name: (E)-2-[4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-3-methyl-isoxazol-5-yl]-N,N-dimethyl-ethenamine (E)-2-[4-[4-(2-fluorophenyl)pipe…

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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 7.02 -12.69 0 7 0 70 394.472 5 ↓
Mid Mid (pH 6-8) 2.06 7.04 -13.09 0 7 0 70 394.472 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-2-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-3-methyl-isoxazol-5-yl]-N,N-dimethyl-ethenam (E)-2-[4-[4-(2,3-dimethylphenyl)…

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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) 2.75 8.57 -11.75 0 7 0 70 404.536 5 ↓
Mid Mid (pH 6-8) 2.75 8.25 -11.92 0 7 0 70 404.536 5 ↓
Mid Mid (pH 6-8) 2.75 8.92 -43.37 1 7 1 71 405.544 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-2-[4-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-3-methyl-isoxazol-5-yl]-N,N-dimethyl-ethenam (E)-2-[4-[4-(2,5-dimethylphenyl)…

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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) 2.77 8.68 -11.75 0 7 0 70 404.536 5 ↓
Mid Mid (pH 6-8) 2.77 8.38 -11.84 0 7 0 70 404.536 5 ↓
Mid Mid (pH 6-8) 2.77 9.08 -43.25 1 7 1 71 405.544 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-2-[4-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-3-methyl-isoxazol-5-yl]-N,N-dimethyl-ethenamine (E)-2-[4-[4-(4-methoxyphenyl)pip…

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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) 2.00 5.8 -14.32 0 8 0 79 406.508 6 ↓
Mid Mid (pH 6-8) 2.00 5.69 -16.91 0 8 0 79 406.508 6 ↓

Parameters Provided:

ring.id = 3873
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 = 3873 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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