UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

24234202
24234202
24239952
24239952

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Popular Name: 2-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-1-phenyl-1,2,4-triazole-3-thione 2-[[4-(4-nitrophenyl)piperazin-1…

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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) 2.35 12.08 -24.46 0 8 0 75 396.476 5 ↓

Analogs

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Popular Name: 2-[(2-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl-propyl-amino]acetonitrile 2-[(2-phenyl-5-thioxo-1,2,4-tria…

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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) 1.47 8.62 -23.13 0 5 0 50 287.392 6 ↓

Analogs

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Popular Name: 2-cyclopentyl-N-[1-[(2-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]-4-piperidyl]acetamide 2-cyclopentyl-N-[1-[(2-phenyl-5-…

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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) 2.36 13.32 -51.81 2 6 1 56 400.572 6 ↓

Parameters Provided:

ring.id = 105204
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 = 105204 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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