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

Analogs

11813299
11813299
11998417
11998417
11998420
11998420
12001905
12001905
12001907
12001907

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-7-(isopropylamino)-3-(3-phenylpropyl)-5,6,7,8-tetrahydrobenzothiopheno[3,2-e]pyrimidin-4-one (7R)-7-(isopropylamino)-3-(3-phe…

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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) 4.48 -0.69 -48.58 2 4 1 52 382.553 6 ↓

Analogs

11998417
11998417
11998420
11998420
12001905
12001905
12001907
12001907
12150111
12150111

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-7-(isopropylamino)-3-(3-phenylpropyl)-5,6,7,8-tetrahydrobenzothiopheno[3,2-e]pyrimidin-4-one (7S)-7-(isopropylamino)-3-(3-phe…

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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) 4.48 -0.69 -48.47 2 4 1 52 382.553 6 ↓

Analogs

11998420
11998420
12001905
12001905
12001907
12001907
12131820
12131820
12131826
12131826

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-7-(isopentylamino)-3-(3-phenylpropyl)-5,6,7,8-tetrahydrobenzothiopheno[3,2-e]pyrimidin-4-one (7R)-7-(isopentylamino)-3-(3-phe…

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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) 5.46 -0.37 -53.23 2 4 1 52 410.607 8 ↓

Analogs

12001905
12001905
12001907
12001907
12131820
12131820
12131826
12131826
12150111
12150111

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-7-(isopentylamino)-3-(3-phenylpropyl)-5,6,7,8-tetrahydrobenzothiopheno[3,2-e]pyrimidin-4-one (7S)-7-(isopentylamino)-3-(3-phe…

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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) 5.46 -0.37 -53.25 2 4 1 52 410.607 8 ↓

Analogs

12001907
12001907
12150111
12150111
12150112
12150112
15003708
15003708
15003711
15003711

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-7-(isobutyl-methyl-amino)-3-(3-phenylpropyl)-5,6,7,8-tetrahydrobenzothiopheno[3,2-e]pyrimidin-4 (7R)-7-(isobutyl-methyl-amino)-3…

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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) 5.18 1.94 -46.4 1 4 1 39 410.607 7 ↓

Analogs

12150111
12150111
12150112
12150112
15003708
15003708
15003711
15003711
11998417
11998417

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-7-(isobutyl-methyl-amino)-3-(3-phenylpropyl)-5,6,7,8-tetrahydrobenzothiopheno[3,2-e]pyrimidin-4 (7S)-7-(isobutyl-methyl-amino)-3…

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) 5.18 1.74 -46.67 1 4 1 39 410.607 7 ↓

Parameters Provided:

ring.id = 28640
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 = 28640 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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