UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-(p-tolylsulfonyl)-8-(2-thienylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane 4-(p-tolylsulfonyl)-8-(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 3.57 -14.71 0 7 0 84 442.584 4 ↓

Analogs

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Popular Name: 4-(4-methoxyphenyl)sulfonyl-8-(2-thienylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane 4-(4-methoxyphenyl)sulfonyl-8-(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 2.19 -15.45 0 8 0 93 458.583 5 ↓

Analogs

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Popular Name: 8-(2-thienylsulfonyl)-4-(2,4,6-trimethylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane 8-(2-thienylsulfonyl)-4-(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 -7.47 -15.73 0 7 0 83 470.638 4 ↓

Analogs

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Popular Name: 4-phenylsulfonyl-8-(2-thienylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane 4-phenylsulfonyl-8-(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 2.89 -14.97 0 7 0 84 428.557 4 ↓

Analogs

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Popular Name: 4-(4-chlorophenyl)sulfonyl-8-(2-thienylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane 4-(4-chlorophenyl)sulfonyl-8-(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 3.41 -15.62 0 7 0 84 463.002 4 ↓

Analogs

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

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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) 3.33 4.24 -15.68 0 7 0 84 477.029 4 ↓

Analogs

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

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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) 3.91 4.01 -13.56 0 7 0 84 497.447 4 ↓

Parameters Provided:

ring.id = 8146
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 = 8146 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=8146&filter.purchasability=annotated

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