UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

36736683
36736683

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Popular Name: 5-bromo-N-[2-(1-piperidyl)phenyl]thiophene-2-carboxamide 5-bromo-N-[2-(1-piperidyl)phenyl…

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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) 4.62 8.16 -5.23 1 3 0 32 365.296 3 ↓

Analogs

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Popular Name: 5-acetamido-N-[5-carbamoyl-2-(1-piperidyl)phenyl]thiophene-2-carboxamide 5-acetamido-N-[5-carbamoyl-2-(1-…

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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) 1.83 3.22 -25.9 4 7 0 105 386.477 5 ↓

Analogs

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Popular Name: N-[5-carbamoyl-2-(1-piperidyl)phenyl]-5-ethyl-4-methyl-thiophene-2-carboxamide N-[5-carbamoyl-2-(1-piperidyl)ph…

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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) 3.65 7.65 -16.43 3 5 0 75 371.506 5 ↓

Parameters Provided:

ring.id = 120043
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 = 120043 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=120043&filter.purchasability=annotated

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