UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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

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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) 2.75 7.23 -55.77 0 6 -1 84 297.385 4 ↓

Analogs

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Popular Name: 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]thiazole-5-carboxylic 2-[(4-methyl-1,2,4-triazol-3-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) 0.94 6.13 -55.7 0 6 -1 84 241.277 3 ↓

Analogs

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

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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) 2.54 4.02 -21.32 0 6 0 78 332.476 4 ↓

Analogs

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

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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) 4.81 7.7 -13.34 0 4 0 44 412.176 3 ↓

Analogs

60218225
60218225

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Popular Name: 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-5-nitro-thiazole 2-[(4,5-dimethyl-1,2,4-triazol-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) 1.30 5.38 -19.85 0 7 0 89 257.3 3 ↓

Analogs

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Popular Name: 5-bromo-4-tert-butyl-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]thiazole 5-bromo-4-tert-butyl-2-[(4,5-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) 4.09 8.06 -11.43 0 4 0 44 347.307 3 ↓

Analogs

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Popular Name: 2-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]thiazol-4-yl]acetic 2-[2-[(4,5-dimethyl-1,2,4-triazo…

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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) 0.88 6.34 -58.42 0 6 -1 84 269.331 4 ↓

Analogs

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

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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) 3.74 7.12 -12.41 0 4 0 44 288.829 3 ↓

Analogs

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Popular Name: 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-5-methylsulfonyl-thiazole 2-[(4,5-dimethyl-1,2,4-triazol-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) 0.81 2.74 -22.02 0 6 0 78 290.395 3 ↓

Analogs

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Popular Name: 4,5-dibromo-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]thiazole 4,5-dibromo-2-[(4,5-dimethyl-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) 3.08 6.42 -13.96 0 4 0 44 370.095 2 ↓

Parameters Provided:

ring.id = 198227
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 = 198227 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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