UCSF
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Analogs

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Popular Name: 8-(3,4-dimethoxyphenyl)sulfonyl-4-(2-thienylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane 8-(3,4-dimethoxyphenyl)sulfonyl-…

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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) 2.08 2.14 -18.4 0 9 0 102 488.609 6 ↓

Analogs

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Popular Name: 8-(2,5-difluorophenyl)sulfonyl-4-(2-thienylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane 8-(2,5-difluorophenyl)sulfonyl-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) 2.68 2.9 -16.61 0 7 0 84 464.537 4 ↓

Analogs

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Popular Name: 8-(4-fluorophenyl)sulfonyl-4-(2-thienylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane 8-(4-fluorophenyl)sulfonyl-4-(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) 2.59 3 -15.18 0 7 0 84 446.547 4 ↓

Analogs

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Popular Name: 4-(2-thienylsulfonyl)-8-(2,4,6-trimethylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane 4-(2-thienylsulfonyl)-8-(2,4,6-t…

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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) 3.63 4.85 -15.77 0 7 0 84 470.638 4 ↓

Analogs

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Popular Name: 8-phenylsulfonyl-4-(2-thienylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane 8-phenylsulfonyl-4-(2-thienylsul…

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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) 2.43 2.94 -16.47 0 7 0 84 428.557 4 ↓

Analogs

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Popular Name: 8-(p-tolylsulfonyl)-4-(2-thienylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane 8-(p-tolylsulfonyl)-4-(2-thienyl…

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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 3.61 -16.29 0 7 0 84 442.584 4 ↓

Analogs

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Popular Name: 8-(4-chlorophenyl)sulfonyl-4-(2-thienylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane 8-(4-chlorophenyl)sulfonyl-4-(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) 3.11 3.45 -14.97 0 7 0 84 463.002 4 ↓

Analogs

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Popular Name: 8-(4-methoxyphenyl)sulfonyl-4-(2-thienylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane 8-(4-methoxyphenyl)sulfonyl-4-(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) 2.49 2.24 -16.69 0 8 0 93 458.583 5 ↓

Analogs

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Popular Name: 8-(4-nitrophenyl)sulfonyl-4-(2-thienylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane 8-(4-nitrophenyl)sulfonyl-4-(2-t…

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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) 2.39 3.65 -16.47 0 10 0 130 473.554 5 ↓

Analogs

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Popular Name: 8-(4-methoxy-3-methyl-phenyl)sulfonyl-4-(2-thienylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane 8-(4-methoxy-3-methyl-phenyl)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) 2.86 -8.27 -15.49 0 8 0 93 472.61 5 ↓

Analogs

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Popular Name: 8-(4-fluoro-2-methyl-phenyl)sulfonyl-4-(2-thienylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane 8-(4-fluoro-2-methyl-phenyl)sulf…

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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) 2.97 3.3 -14.69 0 7 0 84 460.574 4 ↓

Analogs

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Popular Name: 8-(4-fluoro-3-methyl-phenyl)sulfonyl-4-(2-thienylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane 8-(4-fluoro-3-methyl-phenyl)sulf…

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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) 2.97 3.64 -15.05 0 7 0 84 460.574 4 ↓

Analogs

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Popular Name: 8-(2,5-dimethoxyphenyl)sulfonyl-4-(2-thienylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane 8-(2,5-dimethoxyphenyl)sulfonyl-…

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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) 2.47 2.07 -20.14 0 9 0 102 488.609 6 ↓

Analogs

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Popular Name: 8-(2-methoxy-5-methyl-phenyl)sulfonyl-4-(2-thienylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane 8-(2-methoxy-5-methyl-phenyl)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) 2.86 3.44 -18.87 0 8 0 93 472.61 5 ↓

Analogs

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Popular Name: 8-(5-fluoro-2-methoxy-phenyl)sulfonyl-4-(2-thienylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane 8-(5-fluoro-2-methoxy-phenyl)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) 2.58 2.85 -18.5 0 8 0 93 476.573 5 ↓

Parameters Provided:

ring.id = 8155
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 = 8155 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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