UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-(2-chloro-5-fluoro-phenyl)-6-(2,5-dimethylpyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole 3-(2-chloro-5-fluoro-phenyl)-6-(…

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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) 3.52 8.76 -10.76 0 6 0 61 348.794 2 ↓

Analogs

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Popular Name: 3-(3-chloro-2-fluoro-phenyl)-6-(2-methylpyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole 3-(3-chloro-2-fluoro-phenyl)-6-(…

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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 8.08 -14.54 0 6 0 61 334.767 2 ↓

Analogs

40267359
40267359

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Popular Name: 3-(2,5-dichlorophenyl)-6-(2-methylpyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole 3-(2,5-dichlorophenyl)-6-(2-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) 3.81 8.6 -10.85 0 6 0 61 351.222 2 ↓

Analogs

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Popular Name: 3-(2-chloro-5-fluoro-phenyl)-6-(2-methylpyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole 3-(2-chloro-5-fluoro-phenyl)-6-(…

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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) 3.29 8.16 -11.02 0 6 0 61 334.767 2 ↓

Analogs

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Popular Name: 3-(2-chloro-5-fluoro-phenyl)-6-(1H-pyrazol-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole 3-(2-chloro-5-fluoro-phenyl)-6-(…

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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) 3.23 7.07 -10.44 1 6 0 72 320.74 2 ↓

Analogs

44900737
44900737

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Popular Name: 6-(5-isopropyl-2-methyl-pyrazol-3-yl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole 6-(5-isopropyl-2-methyl-pyrazol-…

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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) 3.80 9.26 -10.69 0 6 0 61 324.413 3 ↓

Analogs

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Popular Name: 6-(2-methylpyrazol-3-yl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole 6-(2-methylpyrazol-3-yl)-3-pheny…

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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) 2.52 7.4 -11.55 0 6 0 61 282.332 2 ↓

Analogs

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Popular Name: 3-(4-chlorophenyl)-6-(2-methylpyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole 3-(4-chlorophenyl)-6-(2-methylpy…

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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) 3.20 7.92 -9.7 0 6 0 61 316.777 2 ↓

Analogs

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Popular Name: 3-(4-chlorophenyl)-6-(5-isopropyl-2-methyl-pyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole 3-(4-chlorophenyl)-6-(5-isopropy…

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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) 4.48 9.78 -8.87 0 6 0 61 358.858 3 ↓

Analogs

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Popular Name: 6-(5-isobutyl-2-methyl-pyrazol-3-yl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole 6-(5-isobutyl-2-methyl-pyrazol-3…

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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) 4.07 10.03 -10.8 0 6 0 61 338.44 4 ↓

Parameters Provided:

ring.id = 582792
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 = 582792 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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