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

Analogs

12002027
12002027
4118014
4118014
4118015
4118015
4118016
4118016

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Popular Name: (4-ethylamino-5-methyl-thieno[4,5-e]pyrimidin-6-yl)-[(3R)-3-methyl-1-piperidyl]methanone (4-ethylamino-5-methyl-thieno[4,…

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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) 2.86 -1.93 -8.3 1 5 0 58 318.446 3 ↓

Analogs

4118014
4118014
4118015
4118015
4118016
4118016
12002022
12002022

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Popular Name: (4-ethylamino-5-methyl-thieno[4,5-e]pyrimidin-6-yl)-[(3S)-3-methyl-1-piperidyl]methanone (4-ethylamino-5-methyl-thieno[4,…

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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) 2.86 -1.89 -8.38 1 5 0 58 318.446 3 ↓

Analogs

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Popular Name: [4-(3-dimethylaminopropylamino)-5-methyl-thieno[4,5-e]pyrimidin-6-yl]-(1-piperidyl)methanone [4-(3-dimethylaminopropylamino)-…

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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 -1.57 -44.99 2 6 1 63 362.523 6 ↓

Analogs

12036566
12036566

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Popular Name: [4-(allylamino)-5-methyl-thieno[4,5-e]pyrimidin-6-yl]-[(3R)-3-methyl-1-piperidyl]methanone [4-(allylamino)-5-methyl-thieno[…

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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) 3.13 -1.5 -8.04 1 5 0 58 330.457 4 ↓

Analogs

12036563
12036563

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Popular Name: [4-(allylamino)-5-methyl-thieno[4,5-e]pyrimidin-6-yl]-[(3S)-3-methyl-1-piperidyl]methanone [4-(allylamino)-5-methyl-thieno[…

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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) 3.13 -1.45 -8.11 1 5 0 58 330.457 4 ↓

Analogs

14992089
14992089

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Popular Name: [4-(allylamino)-5-methyl-thieno[4,5-e]pyrimidin-6-yl]-(1-piperidyl)methanone [4-(allylamino)-5-methyl-thieno[…

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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) 2.88 -1.78 -8.31 1 5 0 58 316.43 4 ↓

Analogs

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Popular Name: 3-[(3R)-1-(2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carbonyl)-3-piperidyl]propanamide 3-[(3R)-1-(2,4,5-trimethylthieno…

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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) 1.71 4.97 -14.05 2 6 0 89 360.483 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3S)-1-(2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carbonyl)-3-piperidyl]propanamide 3-[(3S)-1-(2,4,5-trimethylthieno…

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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) 1.71 4.87 -13.58 2 6 0 89 360.483 4 ↓

Parameters Provided:

ring.id = 35877
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 = 35877 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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