UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 6-(cycloheptylcarbamoyl)pyridine-2-carboxylic 6-(cycloheptylcarbamoyl)pyridine…

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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) 2.01 5.6 -46.37 1 5 -1 82 261.301 3 ↓

Analogs

52215433
52215433
52215453
52215453

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Popular Name: 4-amino-N-butyl-N-cycloheptyl-pyridine-2-carboxamide 4-amino-N-butyl-N-cycloheptyl-py…

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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) 3.47 8.24 -7.35 2 4 0 59 289.423 5 ↓
Mid Mid (pH 6-8) 3.47 7.94 -29.05 3 4 1 60 290.431 5 ↓

Analogs

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Popular Name: 3,6-dichloro-N-(1-cyanocycloheptyl)pyridine-2-carboxamide 3,6-dichloro-N-(1-cyanocyclohept…

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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) 4.26 5.57 -10.97 1 4 0 66 312.2 2 ↓

Analogs

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Popular Name: 4-chloro-N-(1-cyanocycloheptyl)pyridine-2-carboxamide 4-chloro-N-(1-cyanocycloheptyl)p…

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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) 3.24 5.15 -12.06 1 4 0 66 277.755 2 ↓

Analogs

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Popular Name: N-(3-aminopropyl)-N-cycloheptyl-6-methyl-pyridine-2-carboxamide N-(3-aminopropyl)-N-cycloheptyl-…

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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) 1.74 7.18 -51.45 3 4 1 61 290.431 5 ↓

Analogs

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Popular Name: N-(3-aminopropyl)-N-cycloheptyl-pyridine-2-carboxamide N-(3-aminopropyl)-N-cycloheptyl-…

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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) 1.69 6.88 -52.08 3 4 1 61 276.404 5 ↓

Parameters Provided:

ring.id = 111989
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 = 111989 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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