UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

2781544
2781544
2776892
2776892
2781207
2781207

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Popular Name: 4-chloro-2,5-dimethyl-N-(1-methylpiperidin-1-ium-4-yl)pyrazole-3-carboxamide 4-chloro-2,5-dimethyl-N-(1-methy…

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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) 1.07 -0.67 -43.63 2 5 1 51 271.772 2 ↓

Analogs

2780468
2780468

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Popular Name: 4-chloro-2-ethyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)pyrazole-3-carboxamide 4-chloro-2-ethyl-N-(2,2,6,6-tetr…

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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) 2.60 -1.34 -41.94 3 5 1 63 313.853 3 ↓

Analogs

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Popular Name: 2-methyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)pyrazole-3-carboxamide 2-methyl-N-(2,2,6,6-tetramethylp…

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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) 1.61 -1.16 -41.68 3 5 1 63 265.381 2 ↓

Analogs

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Popular Name: 2-methyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide 2-methyl-N-(2,2,6,6-tetramethylp…

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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) 2.75 0.83 -42.1 3 5 1 63 333.378 3 ↓

Analogs

2776849
2776849

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Popular Name: 4-bromo-N-(1-isopropylpiperidin-1-ium-4-yl)-2-methyl-pyrazole-3-carboxamide 4-bromo-N-(1-isopropylpiperidin-…

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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) 1.65 -1.18 -42.05 2 5 1 51 330.25 3 ↓

Analogs

2776905
2776905

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Popular Name: 4-bromo-N-(1-isopropylpiperidin-1-ium-4-yl)-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide 4-bromo-N-(1-isopropylpiperidin-…

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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) 2.78 0.8 -43.79 2 5 1 51 398.247 4 ↓

Analogs

13321439
13321439
483029
483029
483356
483356

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Popular Name: 4-chloro-N-(1-isopropylpiperidin-1-ium-4-yl)-2-methyl-pyrazole-3-carboxamide 4-chloro-N-(1-isopropylpiperidin…

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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) 1.52 -0.56 -42.13 2 5 1 51 285.799 3 ↓

Analogs

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Popular Name: 2,5-dimethyl-N-(1-methylsulfonyl-4-piperidyl)pyrazole-3-carboxamide 2,5-dimethyl-N-(1-methylsulfonyl…

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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) -0.16 1.08 -15.51 1 7 0 84 300.384 3 ↓

Parameters Provided:

ring.id = 164336
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 = 164336 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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