UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 6-(4-ethylphenyl)imidazo[2,1-b][1,3,4]thiadiazole 6-(4-ethylphenyl)imidazo[2,1-b][…

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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 7.63 -12.36 0 3 0 30 229.308 2 ↓
Lo Low (pH 4.5-6) 3.29 8.05 -30.14 1 3 1 31 230.316 2 ↓

Analogs

31974475
31974475
34976301
34976301

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Popular Name: 6-(2,5-dimethylphenyl)imidazo[2,1-b][1,3,4]thiadiazole 6-(2,5-dimethylphenyl)imidazo[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) 3.20 7.74 -11.83 0 3 0 30 229.308 1 ↓

Analogs

31974192
31974192
31974225
31974225
31974291
31974291
31974326
31974326
31974390
31974390

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Popular Name: 7-butyl-3-(4-nitrophenyl)-6-thia-1,4,8-triazabicyclo[3.3.0]octa-2,4,7-triene 7-butyl-3-(4-nitrophenyl)-6-thia…

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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) 3.68 1.29 -11.9 0 6 0 76 302.359 5 ↓

Analogs

31974193
31974193
31974226
31974226
31974292
31974292
31974327
31974327
31974390
31974390

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Popular Name: 3-(3-nitrophenyl)-7-pentyl-6-thia-1,4,8-triazabicyclo[3.3.0]octa-2,4,7-triene 3-(3-nitrophenyl)-7-pentyl-6-thi…

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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) 4.16 1.41 -16.34 0 6 0 76 316.386 6 ↓

Analogs

39239028
39239028
39239029
39239029
39239030
39239030
39239031
39239031
39239032
39239032

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Popular Name: 3-phenyl-7-propylsulfanyl-6-thia-1,4,8-triazabicyclo[3.3.0]octa-2,4,7-triene 3-phenyl-7-propylsulfanyl-6-thia…

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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) 3.97 -0.05 -9.59 0 3 0 30 275.402 4 ↓

Analogs

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Popular Name: 3-(3-bromophenyl)-7-methyl-6-thia-1,4,8-triazabicyclo[3.3.0]octa-2,4,7-triene 3-(3-bromophenyl)-7-methyl-6-thi…

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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 -0.29 -10.27 0 3 0 30 294.177 1 ↓

Analogs

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Popular Name: 3-(2-bromoimidazo[2,1-b][1,3,4]thiadiazol-6-yl)benzonitrile 3-(2-bromoimidazo[2,1-b][1,3,4]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) 3.04 7.16 -10.91 0 4 0 54 305.16 1 ↓

Analogs

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Popular Name: N-(2-bromoallyl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine N-(2-bromoallyl)-6-(4-fluorophen…

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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) 3.63 8.34 -10.28 1 4 0 42 353.22 4 ↓
Lo Low (pH 4.5-6) 3.63 8.85 -29.44 2 4 1 43 354.228 4 ↓

Analogs

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Popular Name: 2-bromo-6-(4-ethylphenyl)-5-methyl-imidazo[2,1-b][1,3,4]thiadiazole 2-bromo-6-(4-ethylphenyl)-5-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) 4.44 8.61 -7.23 0 3 0 30 322.231 2 ↓

Parameters Provided:

ring.id = 30673
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 = 30673 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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