UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 6-(2,3-dichlorophenyl)-3-isopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole 6-(2,3-dichlorophenyl)-3-isoprop…

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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) 4.49 8.72 -11.32 0 4 0 43 313.213 2 ↓

Analogs

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Popular Name: 6-(3,4-difluorophenyl)-3-isopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole 6-(3,4-difluorophenyl)-3-isoprop…

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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) 3.48 8.1 -10.62 0 4 0 43 280.303 2 ↓

Analogs

384946
384946

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Popular Name: 2-[3-(Trifluoromethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]phenylamine 2-[3-(Trifluoromethyl)[1,2,4]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) 2.52 5.54 -7.79 2 5 0 69 285.254 2 ↓

Analogs

12843566
12843566
384946
384946

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Popular Name: 3-[3-(trifluoromethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]aniline 3-[3-(trifluoromethyl)[1,2,4]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) 2.13 5.04 -7.98 2 5 0 69 285.254 2 ↓

Analogs

1087401
1087401
384946
384946

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Popular Name: 4-[3-(Trifluoromethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]phenylamine 4-[3-(Trifluoromethyl)[1,2,4]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) 2.16 5.04 -9.04 2 5 0 69 285.254 2 ↓

Analogs

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Popular Name: 3-methyl-6-(3-nitrophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole 3-methyl-6-(3-nitrophenyl)-[1,2,…

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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) 2.11 7.61 -13.72 0 7 0 89 261.266 2 ↓

Analogs

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

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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) 2.98 7.72 -10.09 0 4 0 43 299.128 1 ↓

Analogs

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Popular Name: N-[[2-(3-methyl-[1,2,4]triazolo[4,3-d][1,3,4]thiadiazol-6-yl)phenyl]carbamothioyl]acetamide N-[[2-(3-methyl-[1,2,4]triazolo[…

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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) 0.90 7.27 -21.16 2 7 0 84 332.414 4 ↓

Analogs

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Popular Name: N-[2-(6-methyl-2-thia-4,5,7,8-tetrazabicyclo[3.3.0]octa-3,6,8-trien-3-yl)phenyl]acetamide N-[2-(6-methyl-2-thia-4,5,7,8-te…

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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) 1.34 0.73 -12.63 1 6 0 72 273.321 2 ↓

Analogs

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Popular Name: 2-methoxy-5-(3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)aniline 2-methoxy-5-(3-methyl[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) 1.64 -0.75 -10.49 2 6 0 78 261.31 2 ↓

Analogs

9476594
9476594
14291276
14291276

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Popular Name: N-[2-methoxy-5-(3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]propanamide N-[2-methoxy-5-(3-methyl[1,2,4]t…

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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) 2.21 6.04 -15.17 1 7 0 81 317.374 4 ↓

Analogs

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Popular Name: 6-(2,5-difluorophenyl)-3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole 6-(2,5-difluorophenyl)-3-propyl-…

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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) 3.50 8.5 -10.22 0 4 0 43 280.303 3 ↓

Analogs

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Popular Name: N-ethyl-N-[[6-(3-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl]ethanamine N-ethyl-N-[[6-(3-fluorophenyl)-[…

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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) 2.88 9.4 -37.22 1 5 1 48 306.39 5 ↓
Mid Mid (pH 6-8) 2.88 7.06 -9.25 0 5 0 46 305.382 5 ↓

Parameters Provided:

ring.id = 12178
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 = 12178 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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