UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-[2-(3,4-dimethoxyphenyl)-2-oxo-ethyl]sulfanyl-6-(p-tolyl)-8H-[1,2,4]triazolo[4,5-b][1,2,4]triazin- 3-[2-(3,4-dimethoxyphenyl)-2-oxo…

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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) 3.27 9.74 -48.49 0 9 -1 115 436.473 7 ↓

Analogs

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Popular Name: 6-(4-chlorophenyl)-3-[2-(4-chlorophenyl)-2-oxo-ethyl]sulfanyl-8H-[1,2,4]triazolo[4,5-b][1,2,4]triazi 6-(4-chlorophenyl)-3-[2-(4-chlor…

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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) 4.53 10.86 -40.57 0 7 -1 96 431.284 5 ↓

Analogs

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Popular Name: 3-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-6-(4-chlorophenyl)-8H-[1,2,4]triazolo[4,5-b][1,2,4]triazin 3-[2-(4-bromophenyl)-2-oxo-ethyl…

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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) 4.66 10.97 -40.42 0 7 -1 96 475.735 5 ↓

Analogs

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Popular Name: 6-(4-chlorophenyl)-3-[2-(3,4-dimethoxyphenyl)-2-oxo-ethyl]sulfanyl-8H-[1,2,4]triazolo[4,3-b][1,2,4]t 6-(4-chlorophenyl)-3-[2-(3,4-dim…

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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) 3.49 9.6 -44.08 0 9 -1 115 456.891 7 ↓

Analogs

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Popular Name: 3-[2-(4-chlorophenyl)-2-oxo-ethyl]sulfanyl-6-(4-methoxyphenyl)-8H-[1,2,4]triazolo[4,5-b][1,2,4]triaz 3-[2-(4-chlorophenyl)-2-oxo-ethy…

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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) 3.90 9.67 -43.72 0 8 -1 105 426.865 6 ↓

Analogs

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Popular Name: 6-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)-2-oxo-ethyl]sulfanyl-8H-[1,2,4]triazolo[4,5-b][1,2,4]tria 6-(4-methoxyphenyl)-3-[2-(4-meth…

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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) 3.28 8.48 -45.61 0 9 -1 115 422.446 7 ↓

Analogs

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Popular Name: 3-[2-(3,4-dichlorophenyl)-2-oxo-ethyl]sulfanyl-6-(4-methoxyphenyl)-8H-[1,2,4]triazolo[4,5-b][1,2,4]t 3-[2-(3,4-dichlorophenyl)-2-oxo-…

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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) 4.51 10.12 -43.87 0 8 -1 105 461.31 6 ↓

Analogs

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Popular Name: 3-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-6-(4-methoxyphenyl)-8H-[1,2,4]triazolo[4,5-b][1,2,4]triazi 3-[2-(4-bromophenyl)-2-oxo-ethyl…

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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) 4.04 9.77 -43.64 0 8 -1 105 471.316 6 ↓

Analogs

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Popular Name: 6-(4-methoxyphenyl)-3-[2-(4-nitrophenyl)-2-oxo-ethyl]sulfanyl-8H-[1,2,4]triazolo[4,5-b][1,2,4]triazi 6-(4-methoxyphenyl)-3-[2-(4-nitr…

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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) 3.19 9.82 -45.57 0 11 -1 151 437.417 7 ↓

Analogs

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Popular Name: 3-[2-(3,4-dimethoxyphenyl)-2-oxo-ethyl]sulfanyl-6-(4-methoxyphenyl)-8H-[1,2,4]triazolo[4,5-b][1,2,4] 3-[2-(3,4-dimethoxyphenyl)-2-oxo…

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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) 2.87 8.41 -47.24 0 10 -1 124 452.472 8 ↓

Parameters Provided:

ring.id = 115193
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 = 115193 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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