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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

60219198
60219198
60220093
60220093
60218206
60218206

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3-isopropyl-1,2,4-triazol-1-yl)sulfanyl]-5-nitro-thiazole 2-[(3-isopropyl-1,2,4-triazol-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) 1.94 6.88 -16.32 0 7 0 89 271.327 4 ↓

Analogs

60220093
60220093
60218206
60218206
60219177
60219177

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Popular Name: 2-[(3-butyl-1,2,4-triazol-1-yl)sulfanyl]-5-nitro-thiazole 2-[(3-butyl-1,2,4-triazol-1-yl)s…

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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 7.97 -16.28 0 7 0 89 285.354 6 ↓

Analogs

60218463
60218463

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Popular Name: 4,5-dibromo-2-[(3-tert-butyl-1,2,4-triazol-1-yl)sulfanyl]thiazole 4,5-dibromo-2-[(3-tert-butyl-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) 4.39 8.34 -8.78 0 4 0 44 398.149 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3-butyl-1,2,4-triazol-1-yl)sulfanyl]-5-methylsulfonyl-thiazole 2-[(3-butyl-1,2,4-triazol-1-yl)s…

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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) 2.03 5.19 -16.84 0 6 0 78 318.449 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4,5-dibromo-2-[(3-ethyl-1,2,4-triazol-1-yl)sulfanyl]thiazole 4,5-dibromo-2-[(3-ethyl-1,2,4-tr…

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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) 3.24 7.27 -9.09 0 4 0 44 370.095 3 ↓

Analogs

60218206
60218206
60219177
60219177
60219198
60219198

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3-ethyl-1,2,4-triazol-1-yl)sulfanyl]-5-nitro-thiazole 2-[(3-ethyl-1,2,4-triazol-1-yl)s…

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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) 1.45 6.42 -16.51 0 7 0 89 257.3 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-4-tert-butyl-2-[(3-ethyl-1,2,4-triazol-1-yl)sulfanyl]thiazole 5-bromo-4-tert-butyl-2-[(3-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) 4.25 8.83 -7.49 0 4 0 44 347.307 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4,5-dibromo-2-[(3-butyl-1,2,4-triazol-1-yl)sulfanyl]thiazole 4,5-dibromo-2-[(3-butyl-1,2,4-tr…

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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) 4.30 8.82 -8.84 0 4 0 44 398.149 5 ↓

Analogs

60218256
60218256

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3-isopropyl-1,2,4-triazol-1-yl)sulfanyl]thiazole-5-carboxylic 2-[(3-isopropyl-1,2,4-triazol-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) 1.67 7.23 -49.91 0 6 -1 84 269.331 4 ↓

Analogs

60216641
60216641

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3-propyl-1,2,4-triazol-1-yl)sulfanyl]-4-(trifluoromethyl)thiazole-5-carboxylic 2-[(3-propyl-1,2,4-triazol-1-yl)…

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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) 2.82 8.15 -48.6 0 6 -1 84 337.328 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-methylsulfonyl-2-[(3-propyl-1,2,4-triazol-1-yl)sulfanyl]thiazole 5-methylsulfonyl-2-[(3-propyl-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) 1.47 4.41 -16.88 0 6 0 78 304.422 5 ↓

Analogs

60218368
60218368

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3-tert-butyl-1,2,4-triazol-1-yl)sulfanyl]-4-(trifluoromethyl)thiazole-5-carboxylic 2-[(3-tert-butyl-1,2,4-triazol-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) 3.47 8.45 -48.9 0 6 -1 84 351.355 5 ↓

Analogs

60218835
60218835

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3-tert-butyl-1,2,4-triazol-1-yl)sulfanyl]-5-chloro-thiazole 2-[(3-tert-butyl-1,2,4-triazol-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) 3.32 7.76 -8.06 0 4 0 44 274.802 3 ↓

Parameters Provided:

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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 = 198218 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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