UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

300029
300029

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Popular Name: 4-Chloro-6-phenyl-2-pyridin-4-yl-pyrimidine 4-Chloro-6-phenyl-2-pyridin-4-yl…

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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) 3.53 8.06 -6.79 0 3 0 39 267.719 2 ↓

Analogs

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Popular Name: N-methyl-4-phenyl-2-(4-pyridinyl)-5-pyrimidinecarboxamide N-methyl-4-phenyl-2-(4-pyridinyl…

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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) 1.69 -1.97 -11.44 1 5 0 67 290.326 3 ↓

Analogs

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Popular Name: N-ethyl-4-phenyl-2-(4-pyridinyl)-5-pyrimidinecarboxamide N-ethyl-4-phenyl-2-(4-pyridinyl)…

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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) 2.06 -1.87 -10.73 1 5 0 67 304.353 4 ↓

Analogs

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Popular Name: N,N-dimethyl-4-phenyl-2-(4-pyridinyl)-5-pyrimidinecarboxamide N,N-dimethyl-4-phenyl-2-(4-pyrid…

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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) 1.46 -0.63 -11.68 0 5 0 58 304.353 3 ↓

Parameters Provided:

ring.id = 111279
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 = 111279 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=111279&filter.purchasability=annotated

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