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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: 4-bromo-2-[(Z)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyliminomethyl]phenol 4-bromo-2-[(Z)-2-(6,7-dihydro-4H…

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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) 3.80 5.01 -39.87 2 3 1 37 366.304 4 ↓
Hi High (pH 8-9.5) 3.80 5.99 -40.4 0 3 -1 39 364.288 4 ↓
Hi High (pH 8-9.5) 3.80 5.21 -5.39 1 3 0 36 365.296 4 ↓

Analogs

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Popular Name: 4-chloro-2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyliminomethyl]-6-nitro-phenol 4-chloro-2-[2-(6,7-dihydro-4H-th…

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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) 3.34 9.01 -27.13 1 6 0 86 365.842 5 ↓
Hi High (pH 8-9.5) 3.34 6.58 -36.18 0 6 -1 84 364.834 5 ↓
Hi High (pH 8-9.5) 3.34 7.65 -42.41 0 6 -1 84 364.834 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-2-[(Z)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyliminomethyl]phenol 4-chloro-2-[(Z)-2-(6,7-dihydro-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) 3.66 4.91 -39.85 2 3 1 37 321.853 4 ↓
Hi High (pH 8-9.5) 3.66 3.88 -6.84 1 3 0 36 320.845 4 ↓
Hi High (pH 8-9.5) 3.66 5.89 -40.56 0 3 -1 39 319.837 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(Z)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyliminomethyl]-4-ethoxy-phenol 2-[(Z)-2-(6,7-dihydro-4H-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) 3.42 4.61 -37.9 2 4 1 47 331.461 6 ↓
Hi High (pH 8-9.5) 3.42 4.81 -6.49 1 4 0 45 330.453 6 ↓
Hi High (pH 8-9.5) 3.42 3.59 -8.12 1 4 0 45 330.453 6 ↓

Parameters Provided:

ring.id = 384751
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 = 384751 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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