UCSF
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Analogs

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Popular Name: N-[[4-(4-methoxyphenyl)tetrahydropyran-4-yl]methyl]-N'-(oxoBLAHyl)oxamide N-[[4-(4-methoxyphenyl)tetrahydr…

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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) 2.21 6.68 -13.72 2 8 0 97 463.534 6 ↓

Analogs

39703701
39703701
39703705
39703705

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Popular Name: N'-[[4-(4-methoxyphenyl)tetrahydropyran-4-yl]methyl]-N-[methyl(oxo)BLAHyl]oxamide N'-[[4-(4-methoxyphenyl)tetrahyd…

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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) 2.54 7.26 -13.65 2 8 0 97 477.561 6 ↓

Analogs

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Popular Name: N-[[4-(2-methoxyphenyl)tetrahydropyran-4-yl]methyl]-N'-(oxoBLAHyl)oxamide N-[[4-(2-methoxyphenyl)tetrahydr…

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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) 2.16 7.03 -12.75 2 8 0 97 463.534 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[[4-(2-methoxyphenyl)tetrahydropyran-4-yl]methyl]-N-[methyl(oxo)BLAHyl]oxamide N'-[[4-(2-methoxyphenyl)tetrahyd…

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) 2.49 7.6 -12.43 2 8 0 97 477.561 6 ↓

Analogs

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Popular Name: N-[[4-(2-chloro-6-fluoro-phenyl)tetrahydropyran-4-yl]methyl]-N'-(oxoBLAHyl)oxamide N-[[4-(2-chloro-6-fluoro-phenyl)…

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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) 2.90 7.57 -12.17 2 7 0 88 485.943 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[[4-(2-chloro-6-fluoro-phenyl)tetrahydropyran-4-yl]methyl]-N-[methyl(oxo)BLAHyl]oxamide N'-[[4-(2-chloro-6-fluoro-phenyl…

Find On: PubMed — Wikipedia — Google

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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) 3.22 8.16 -12.09 2 7 0 88 499.97 5 ↓

Parameters Provided:

ring.id = 575998
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 = 575998 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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