UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-(1,1-dioxothian-4-yl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-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) 0.63 0.29 -18 2 5 0 83 313.4 2 ↓

Analogs

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Popular Name: N-(1,1-dioxothian-4-yl)-5-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide N-(1,1-dioxothian-4-yl)-5-(4-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) 0.90 1.07 -16.37 2 5 0 83 327.427 3 ↓

Analogs

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Popular Name: 5-[(1,1-dioxothian-4-yl)carbamoyl]thiophene-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) 0.63 2.09 -51.17 1 6 -1 103 302.353 3 ↓

Parameters Provided:

ring.id = 8346
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 = 8346 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=8346&filter.purchasability=annotated

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