UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

17320360
17320360
12892794
12892794

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Popular Name: (4-amino-1-piperidyl)-(2-phenyltriazol-4-yl)methanone (4-amino-1-piperidyl)-(2-phenylt…

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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) 0.07 3.89 -53.08 3 6 1 79 272.332 2 ↓

Analogs

36755245
36755245

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Popular Name: (5-Methyl-2-phenyl-2H-[1,2,3]triazol-4-yl)-(2-methyl-piperidin-1-yl)-methanone (5-Methyl-2-phenyl-2H-[1,2,3]tri…

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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) 2.26 7.82 -7.4 0 5 0 51 284.363 2 ↓

Analogs

36755243
36755243

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Popular Name: (5-Methyl-2-phenyl-2H-[1,2,3]triazol-4-yl)-(2-methyl-piperidin-1-yl)-methanone (5-Methyl-2-phenyl-2H-[1,2,3]tri…

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Activity (Go SEA)

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) 2.26 7.86 -7.45 0 5 0 51 284.363 2 ↓

Parameters Provided:

ring.id = 32647
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 = 32647 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=32647&filter.purchasability=annotated

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