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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

41864265
41864265
41864305
41864305
41864306
41864306
6590284
6590284
6590285
6590285

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-7-methyl-2-(phenoxymethyl)-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-4-one (7R)-7-methyl-2-(phenoxymethyl)-…

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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) 4.15 8.51 -12.17 1 4 0 55 326.421 3 ↓

Analogs

41864305
41864305
41864306
41864306
41864264
41864264
6590284
6590284

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-7-methyl-2-(phenoxymethyl)-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-4-one (7S)-7-methyl-2-(phenoxymethyl)-…

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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) 4.15 8.51 -12.19 1 4 0 55 326.421 3 ↓

Analogs

41864269
41864269
6590284
6590284
6590285
6590285

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-2-[(4-acetylphenoxy)methyl]-7-methyl-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-4-one (7R)-2-[(4-acetylphenoxy)methyl]…

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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) 4.05 8.94 -16.07 1 5 0 72 368.458 4 ↓

Analogs

41864268
41864268

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-2-[(4-acetylphenoxy)methyl]-7-methyl-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-4-one (7S)-2-[(4-acetylphenoxy)methyl]…

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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) 4.05 8.94 -16.08 1 5 0 72 368.458 4 ↓

Analogs

41864306
41864306
41864264
41864264
41864265
41864265
6590284
6590284

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-2-[(4-methoxyphenoxy)methyl]-7-methyl-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-4-on (7R)-2-[(4-methoxyphenoxy)methyl…

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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) 4.21 7.8 -13.34 1 5 0 64 356.447 4 ↓

Analogs

41864264
41864264
41864265
41864265
41864305
41864305
6590284
6590284

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-2-[(4-methoxyphenoxy)methyl]-7-methyl-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-4-on (7S)-2-[(4-methoxyphenoxy)methyl…

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) 4.21 7.8 -13.34 1 5 0 64 356.447 4 ↓

Parameters Provided:

ring.id = 418759
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 = 418759 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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