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

Draw Identity 99% 90% 80% 70%

Popular Name: N-(1,1-dioxothian-4-yl)-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide N-(1,1-dioxothian-4-yl)-5-(3-hyd…

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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) -0.77 -0.64 -20.25 2 6 0 96 308.359 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(3-aminoprop-1-ynyl)-N-(1,1-dioxothian-4-yl)pyridine-3-carboxamide 5-(3-aminoprop-1-ynyl)-N-(1,1-di…

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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) -1.33 0.07 -62 4 6 1 104 308.383 2 ↓
Mid Mid (pH 6-8) -1.33 -0.34 -18.26 3 6 0 102 307.375 2 ↓

Analogs

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Popular Name: 2-chloro-N-(1,1-dioxothian-4-yl)pyridine-3-carboxamide 2-chloro-N-(1,1-dioxothian-4-yl)…

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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) 0.65 1.01 -20.68 1 5 0 76 288.756 2 ↓

Analogs

37995489
37995489

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Popular Name: 6-chloro-N-(1,1-dioxothian-4-yl)pyridine-3-carboxamide 6-chloro-N-(1,1-dioxothian-4-yl)…

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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) 0.70 0.97 -16.2 1 5 0 76 288.756 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5,6-dichloro-N-(1,1-dioxothian-4-yl)pyridine-3-carboxamide 5,6-dichloro-N-(1,1-dioxothian-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) 1.31 1.45 -16.45 1 5 0 76 323.201 2 ↓

Analogs

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Popular Name: 5-[(1,1-dioxothian-4-yl)carbamoyl]pyridine-2-carboxylic 5-[(1,1-dioxothian-4-yl)carbamoy…

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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) -0.67 1.11 -57.05 1 7 -1 116 297.312 3 ↓

Parameters Provided:

ring.id = 3010
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 = 3010 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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