UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

44959563
44959563
48800834
48800834
49085737
49085737

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Popular Name: 6-(3-oxopiperazine-1-carbonyl)pyridine-2-carboxylic 6-(3-oxopiperazine-1-carbonyl)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) -0.68 2.12 -54.54 1 7 -1 102 248.218 2 ↓

Analogs

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Popular Name: 4-(3-methylpyridine-2-carbonyl)piperazin-2-one 4-(3-methylpyridine-2-carbonyl)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) 0.46 1.34 -12.5 1 5 0 62 219.244 1 ↓

Analogs

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Popular Name: (3R)-4-(3,6-dichloropyridine-2-carbonyl)-3-isopropyl-piperazin-2-one (3R)-4-(3,6-dichloropyridine-2-c…

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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) 2.32 4.1 -8.84 1 5 0 62 316.188 2 ↓

Analogs

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Popular Name: (3S)-4-(3,6-dichloropyridine-2-carbonyl)-3-isopropyl-piperazin-2-one (3S)-4-(3,6-dichloropyridine-2-c…

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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) 2.32 5.11 -9.44 1 5 0 62 316.188 2 ↓

Analogs

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Popular Name: 4-(3-chloro-6-ethoxy-pyridine-2-carbonyl)piperazin-2-one 4-(3-chloro-6-ethoxy-pyridine-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) 1.47 1.9 -9.71 1 6 0 72 283.715 3 ↓

Parameters Provided:

ring.id = 111923
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 = 111923 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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