UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

38633666
38633666

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Popular Name: 4-(benzenesulfonyl)-N-phenethyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide 4-(benzenesulfonyl)-N-phenethyl-…

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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) 3.58 6.88 -18.6 1 7 0 79 429.542 5 ↓

Analogs

38633707
38633707

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Popular Name: 4-(benzenesulfonyl)-N-[2-(4-methoxyphenyl)ethyl]-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide 4-(benzenesulfonyl)-N-[2-(4-meth…

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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) 3.64 6.18 -20.33 1 8 0 88 459.568 6 ↓

Analogs

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Popular Name: 4-(4-fluorophenyl)sulfonyl-N-phenethyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide 4-(4-fluorophenyl)sulfonyl-N-phe…

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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) 3.74 6.98 -18.14 1 7 0 79 447.532 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(4-fluorophenyl)sulfonyl-N-[2-(4-methoxyphenyl)ethyl]-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamid 4-(4-fluorophenyl)sulfonyl-N-[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) 3.80 6.28 -19.87 1 8 0 88 477.558 6 ↓

Analogs

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Popular Name: 4-(4-chlorophenyl)sulfonyl-N-phenethyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide 4-(4-chlorophenyl)sulfonyl-N-phe…

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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) 4.26 7.43 -17.78 1 7 0 79 463.987 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(4-chlorophenyl)sulfonyl-N-[2-(4-methoxyphenyl)ethyl]-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamid 4-(4-chlorophenyl)sulfonyl-N-[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) 4.32 6.73 -19.52 1 8 0 88 494.013 6 ↓

Parameters Provided:

ring.id = 590585
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 = 590585 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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