UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[2-(cycloheptylamino)-2-oxo-ethyl]sulfanylpyridine-4-carboxylic 2-[2-(cycloheptylamino)-2-oxo-et…

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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) 3.02 6.77 -50.38 1 5 -1 82 307.395 5 ↓

Analogs

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Popular Name: 2-[(3-amino-2-pyridyl)sulfanyl]-N-(1-cyanocycloheptyl)acetamide 2-[(3-amino-2-pyridyl)sulfanyl]-…

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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) 2.44 3.84 -15.13 3 5 0 92 304.419 4 ↓

Analogs

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Popular Name: 2-[(3-amino-2-pyridyl)sulfanyl]-N-cycloheptyl-acetamide 2-[(3-amino-2-pyridyl)sulfanyl]-…

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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) 2.59 4.24 -9.35 3 4 0 68 279.409 4 ↓

Analogs

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Popular Name: 2-[(5-amino-2-pyridyl)sulfanyl]-N-(1-cyanocycloheptyl)acetamide 2-[(5-amino-2-pyridyl)sulfanyl]-…

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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) 2.66 3.76 -15.78 3 5 0 92 304.419 4 ↓

Analogs

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Popular Name: 2-[(5-amino-2-pyridyl)sulfanyl]-N-cycloheptyl-acetamide 2-[(5-amino-2-pyridyl)sulfanyl]-…

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Activity (Go SEA)

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) 2.81 4.1 -9.62 3 4 0 68 279.409 4 ↓

Analogs

45025443
45025443
217929
217929

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Popular Name: 6-[2-(cycloheptylamino)-2-oxo-ethyl]sulfanylpyridine-3-carboxylic 6-[2-(cycloheptylamino)-2-oxo-et…

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Activity (Go SEA)

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) 2.73 6.76 -46.31 1 5 -1 82 307.395 5 ↓

Parameters Provided:

ring.id = 519815
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 = 519815 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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