UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

40767787
40767787
40769719
40769719
4345797
4345797
4491117
4491117

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Popular Name: 4-methyl-N-[2-oxo-2-(1-piperidyl)ethyl]furo[3,2-b]pyrrole-5-carboxamide 4-methyl-N-[2-oxo-2-(1-piperidyl…

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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) 1.04 4.81 -11.45 1 6 0 67 289.335 3 ↓

Analogs

4491117
4491117
40767785
40767785

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Popular Name: 4-methyl-N-[2-(4-methyl-1-piperidyl)-2-oxo-ethyl]furo[3,2-b]pyrrole-5-carboxamide 4-methyl-N-[2-(4-methyl-1-piperi…

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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) 1.28 5.43 -11.38 1 6 0 67 303.362 3 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 1.14 6.37 -15.36 1 8 0 94 361.398 6 ↓

Analogs

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Popular Name: N-[2-(4-carbamoyl-1-piperidyl)-2-oxo-ethyl]-4-methyl-furo[3,2-b]pyrrole-5-carboxamide N-[2-(4-carbamoyl-1-piperidyl)-2…

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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) -0.37 1.48 -18.22 3 8 0 111 332.36 4 ↓

Parameters Provided:

ring.id = 516975
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 = 516975 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=516975&filter.purchasability=annotated

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