UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

36165704
36165704
36164329
36164329

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Popular Name: N-cyclopropyl-N-(2-pyridylmethyl)-1H-pyrazole-4-carboxamide N-cyclopropyl-N-(2-pyridylmethyl…

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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) -0.19 4.25 -9.46 1 5 0 62 242.282 4 ↓
Lo Low (pH 4.5-6) -0.19 5.08 -36.69 2 5 1 63 243.29 4 ↓

Analogs

42003282
42003282
36163525
36163525
36163522
36163522
36165708
36165708
36164351
36164351

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Popular Name: N-cyclopropyl-3,5-dimethyl-N-(2-pyridylmethyl)-1H-pyrazole-4-carboxamide N-cyclopropyl-3,5-dimethyl-N-(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) 0.25 6.08 -11.32 1 5 0 62 270.336 4 ↓
Lo Low (pH 4.5-6) 0.25 5.85 -42.61 2 5 1 63 271.344 4 ↓

Analogs

37841137
37841137

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Popular Name: N-cyclopropyl-1,5-dimethyl-N-(2-pyridylmethyl)pyrazole-4-carboxamide N-cyclopropyl-1,5-dimethyl-N-(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) 0.10 6.78 -12.55 0 5 0 51 270.336 4 ↓
Lo Low (pH 4.5-6) 0.10 6.47 -41.09 1 5 1 52 271.344 4 ↓

Parameters Provided:

ring.id = 582949
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 = 582949 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=582949&filter.purchasability=annotated

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