UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

39703643
39703643
39703644
39703644
39703645
39703645
39703646
39703646
39703653
39703653

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Popular Name: 2-oxo-N-(p-tolyl)-2-[4-(2-thienylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]dec-8-yl]-acetamide 2-oxo-N-(p-tolyl)-2-[4-(2-thieny…

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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) 2.10 -5.86 -13.1 1 8 0 96 449.554 4 ↓

Analogs

39703674
39703674
39703676
39703676
39703678
39703678
39703679
39703679

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Popular Name: N-(3-chloro-4-fluoro-phenyl)-2-oxo-2-[4-(2-thienylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]dec-8-yl]-aceta N-(3-chloro-4-fluoro-phenyl)-2-o…

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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) 2.42 -5.51 -12.27 1 8 0 96 487.962 4 ↓

Analogs

39703653
39703653
39703654
39703654
39703655
39703655
39703657
39703657
39703658
39703658

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Popular Name: N-(3-fluoro-4-methyl-phenyl)-2-oxo-2-[4-(2-thienylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]dec-8-yl]-aceta N-(3-fluoro-4-methyl-phenyl)-2-o…

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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) 2.19 -5.06 -15.14 1 8 0 96 467.544 4 ↓

Analogs

39703653
39703653
39703654
39703654
39703655
39703655
39703657
39703657
39703658
39703658

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chloro-4-methyl-phenyl)-2-oxo-2-[4-(2-thienylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]dec-8-yl]-aceta N-(3-chloro-4-methyl-phenyl)-2-o…

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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) 2.70 -5.92 -14.33 1 8 0 96 483.999 4 ↓

Parameters Provided:

ring.id = 8163
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 = 8163 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=8163&filter.purchasability=annotated

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