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Popular Name: N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-4-[(1S,5R)-1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan- N-[4-(pyrimidin-2-ylsulfamoyl)ph…

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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) 1.68 8.26 -65.89 1 10 -1 141 498.585 8 ↓
Mid Mid (pH 6-8) 1.68 8.61 -24.03 2 10 0 138 499.593 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-4-[(1R,5S)-1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan- N-[4-(pyrimidin-2-ylsulfamoyl)ph…

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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) 1.68 8.21 -65.81 1 10 -1 141 498.585 8 ↓
Mid Mid (pH 6-8) 1.68 8.55 -23.9 2 10 0 138 499.593 8 ↓

Analogs

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Popular Name: N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-[(1S,5R)-5,8,8-trimethyl-2,4-dioxo-3-azabicycl N-[4-[(4,6-dimethylpyrimidin-2-y…

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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) 2.56 9.63 -69.21 1 10 -1 141 526.639 8 ↓
Mid Mid (pH 6-8) 2.56 9.94 -25.82 2 10 0 138 527.647 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-[(1R,5S)-5,8,8-trimethyl-2,4-dioxo-3-azabicycl N-[4-[(4,6-dimethylpyrimidin-2-y…

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) 2.56 9.56 -69.09 1 10 -1 141 526.639 8 ↓
Mid Mid (pH 6-8) 2.56 9.86 -25.8 2 10 0 138 527.647 8 ↓

Parameters Provided:

ring.id = 130988
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 = 130988 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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