UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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

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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) 1.49 5.17 -55.23 0 6 -1 72 257.32 4 ↓

Analogs

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Popular Name: 5-chloro-2-[(4-ethyl-3H-1,2,4-triazol-2-yl)sulfanyl]thiazole 5-chloro-2-[(4-ethyl-3H-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) 2.48 6.72 -7.42 0 4 0 32 248.764 3 ↓

Analogs

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Popular Name: 4,5-dibromo-2-[(4-ethyl-3H-1,2,4-triazol-2-yl)sulfanyl]thiazole 4,5-dibromo-2-[(4-ethyl-3H-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) 3.54 7.31 -7.72 0 4 0 32 372.111 3 ↓

Analogs

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Popular Name: 5-bromo-4-tert-butyl-2-[(4-ethyl-3H-1,2,4-triazol-2-yl)sulfanyl]thiazole 5-bromo-4-tert-butyl-2-[(4-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) 4.55 9.18 -7.54 0 4 0 32 349.323 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4-ethyl-3H-1,2,4-triazol-2-yl)sulfanyl]thiazole 2-[(4-ethyl-3H-1,2,4-triazol-2-y…

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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) 1.68 6.09 -9.05 0 4 0 32 214.319 3 ↓

Analogs

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

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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) 1.76 6.45 -11.56 0 7 0 78 259.316 4 ↓

Parameters Provided:

ring.id = 198221
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 = 198221 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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