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

Analogs

38587806
38587806

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Popular Name: 5-(azepan-1-yl)-4-(4-fluorophenyl)sulfonyl-2-isobutyl-oxazole 5-(azepan-1-yl)-4-(4-fluoropheny…

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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) 4.70 6.87 -9.8 0 5 0 63 380.485 5 ↓

Analogs

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Popular Name: 5-(azepan-1-yl)-2-butyl-4-(4-fluorophenyl)sulfonyl-oxazole 5-(azepan-1-yl)-2-butyl-4-(4-flu…

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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) 5.01 6.9 -9.9 0 5 0 63 380.485 6 ↓

Analogs

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Popular Name: 5-(azepan-1-yl)-2-tert-butyl-4-(4-fluorophenyl)sulfonyl-oxazole 5-(azepan-1-yl)-2-tert-butyl-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) 5.10 6.5 -9.85 0 5 0 63 380.485 4 ↓

Analogs

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Popular Name: 5-(azepan-1-yl)-4-(4-bromophenyl)sulfonyl-2-methyl-oxazole 5-(azepan-1-yl)-4-(4-bromophenyl…

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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) 4.03 5.16 -10.26 0 5 0 63 399.31 3 ↓

Analogs

38588147
38588147

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Popular Name: 5-(azepan-1-yl)-4-(4-bromophenyl)sulfonyl-2-isobutyl-oxazole 5-(azepan-1-yl)-4-(4-bromophenyl…

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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) 5.35 7.43 -9.52 0 5 0 63 441.391 5 ↓

Analogs

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Popular Name: 5-(azepan-1-yl)-4-(4-bromophenyl)sulfonyl-2-butyl-oxazole 5-(azepan-1-yl)-4-(4-bromophenyl…

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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) 5.66 7.46 -9.56 0 5 0 63 441.391 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(azepan-1-yl)-4-(4-bromophenyl)sulfonyl-2-tert-butyl-oxazole 5-(azepan-1-yl)-4-(4-bromophenyl…

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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) 5.75 7.06 -9.54 0 5 0 63 441.391 4 ↓

Analogs

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Popular Name: 5-(azepan-1-yl)-4-(4-ethylphenyl)sulfonyl-2-methyl-oxazole 5-(azepan-1-yl)-4-(4-ethylphenyl…

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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) 4.13 5.96 -11.72 0 5 0 63 348.468 4 ↓

Analogs

38589557
38589557

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Popular Name: 5-(azepan-1-yl)-4-(4-ethylphenyl)sulfonyl-2-isobutyl-oxazole 5-(azepan-1-yl)-4-(4-ethylphenyl…

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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) 5.45 8.23 -10.94 0 5 0 63 390.549 6 ↓

Analogs

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Popular Name: 5-(azepan-1-yl)-2-butyl-4-(4-ethylphenyl)sulfonyl-oxazole 5-(azepan-1-yl)-2-butyl-4-(4-eth…

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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) 5.77 8.28 -10.95 0 5 0 63 390.549 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(azepan-1-yl)-2-tert-butyl-4-(4-ethylphenyl)sulfonyl-oxazole 5-(azepan-1-yl)-2-tert-butyl-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) 5.86 7.86 -11.08 0 5 0 63 390.549 5 ↓

Analogs

40513119
40513119

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Popular Name: 5-(azepan-1-yl)-4-(4-ethoxyphenyl)sulfonyl-2-methyl-oxazole 5-(azepan-1-yl)-4-(4-ethoxypheny…

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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) 3.65 4.73 -12.27 0 6 0 73 364.467 5 ↓

Analogs

40513124
40513124
38589945
38589945

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Popular Name: 5-(azepan-1-yl)-4-(4-ethoxyphenyl)sulfonyl-2-isobutyl-oxazole 5-(azepan-1-yl)-4-(4-ethoxypheny…

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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) 4.97 7 -11.46 0 6 0 73 406.548 7 ↓

Analogs

40513134
40513134

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Popular Name: 5-(azepan-1-yl)-2-tert-butyl-4-(4-ethoxyphenyl)sulfonyl-oxazole 5-(azepan-1-yl)-2-tert-butyl-4-(…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 5.37 6.63 -11.54 0 6 0 73 406.548 6 ↓

Parameters Provided:

ring.id = 593930
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 = 593930 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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