UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

31313703
31313703

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Popular Name: 3-(2-methoxyphenyl)-1-phenyl-N-(3-pyridylmethyl)pyrazole-4-carboxamide 3-(2-methoxyphenyl)-1-phenyl-N-(…

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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) 2.63 8.9 -18.11 1 6 0 69 384.439 6 ↓
Lo Low (pH 4.5-6) 2.63 9.34 -54.86 2 6 1 70 385.447 6 ↓

Analogs

6346503
6346503

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Popular Name: 3-phenyl-1-(p-tolyl)-N-(3-pyridylmethyl)pyrazole-4-carboxamide 3-phenyl-1-(p-tolyl)-N-(3-pyridy…

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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) 3.07 10.19 -15.17 1 5 0 60 368.44 5 ↓
Lo Low (pH 4.5-6) 3.07 10.62 -52.49 2 5 1 61 369.448 5 ↓

Parameters Provided:

ring.id = 81417
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 = 81417 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=81417&filter.purchasability=annotated

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