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

Analogs

9385360
9385360
82184
82184
8329100
8329100

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3S)-3-hydroxy-1-piperidyl]-2-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanyl-ethanone 1-[(3S)-3-hydroxy-1-piperidyl]-2…

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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) 1.50 4.65 -12.37 1 5 0 66 323.443 3 ↓

Analogs

9385360
9385360
82184
82184
8329100
8329100

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3R)-3-hydroxy-1-piperidyl]-2-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanyl-ethanone 1-[(3R)-3-hydroxy-1-piperidyl]-2…

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) 1.50 4.67 -12.41 1 5 0 66 323.443 3 ↓

Analogs

9690588
9690588
9690587
9690587
14017972
14017972

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R)-2-ethyl-1-piperidyl]-2-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanyl-ethanone 1-[(2R)-2-ethyl-1-piperidyl]-2-(…

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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) 3.52 9.22 -10.36 0 4 0 46 335.498 4 ↓

Analogs

9690588
9690588
9690587
9690587
14017972
14017972

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S)-2-ethyl-1-piperidyl]-2-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanyl-ethanone 1-[(2S)-2-ethyl-1-piperidyl]-2-(…

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) 3.52 9.24 -10.25 0 4 0 46 335.498 4 ↓

Analogs

9385360
9385360
82184
82184

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3S)-3-(hydroxymethyl)-1-piperidyl]-2-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanyl-ethanone 1-[(3S)-3-(hydroxymethyl)-1-pipe…

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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) 1.89 5.28 -14.79 1 5 0 66 337.47 4 ↓

Analogs

9385360
9385360
82184
82184

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3R)-3-(hydroxymethyl)-1-piperidyl]-2-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanyl-ethanone 1-[(3R)-3-(hydroxymethyl)-1-pipe…

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) 1.89 5.29 -14.79 1 5 0 66 337.47 4 ↓

Parameters Provided:

ring.id = 603060
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 = 603060 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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