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

Analogs

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Popular Name: 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]ethanone 1-(6,7-dihydro-4H-thieno[3,2-c]p…

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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) 2.81 7.78 -8.64 1 3 0 32 318.417 4 ↓
Lo Low (pH 4.5-6) 2.81 8.88 -49.83 2 3 1 37 319.425 4 ↓

Analogs

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Popular Name: 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]ethanone 1-(6,7-dihydro-4H-thieno[3,2-c]p…

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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) 2.81 7.79 -9.68 1 3 0 32 318.417 4 ↓
Lo Low (pH 4.5-6) 2.81 8.88 -49.94 2 3 1 37 319.425 4 ↓

Analogs

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Popular Name: 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(3-fluoro-4-methoxy-phenyl)methyl-methyl-amino]ethan 1-(6,7-dihydro-4H-thieno[3,2-c]p…

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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) 2.51 9.37 -53.14 1 4 1 34 349.451 5 ↓
Mid Mid (pH 6-8) 2.51 7.13 -13.37 0 4 0 33 348.443 5 ↓

Analogs

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Popular Name: 2-[(5-bromo-2-methoxy-phenyl)methyl-methyl-amino]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethano 2-[(5-bromo-2-methoxy-phenyl)met…

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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) 3.15 10.24 -42.78 1 4 1 34 410.357 5 ↓

Analogs

44658737
44658737

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Popular Name: 2-[benzyl(4-methoxybutyl)amino]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone 2-[benzyl(4-methoxybutyl)amino]-…

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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 11.27 -45.33 1 4 1 34 373.542 9 ↓
Hi High (pH 8-9.5) 2.88 8.71 -8.46 0 4 0 33 372.534 9 ↓

Parameters Provided:

ring.id = 29403
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 = 29403 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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