UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-[(5-chloro-2-thienyl)methylsulfanyl]-4-(3-methoxypropyl)-1H-1,2,4-triazol-5-one 3-[(5-chloro-2-thienyl)methylsul…

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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) 2.57 6.15 -9.67 1 5 0 60 319.839 7 ↓

Analogs

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Popular Name: 5-[(5-chloro-2-thienyl)methylsulfanyl]-4-propyl-1,2,4-triazol-3-ol 5-[(5-chloro-2-thienyl)methylsul…

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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 7.07 -7.88 1 4 0 51 289.813 5 ↓

Analogs

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Popular Name: 5-[(5-bromo-2-thienyl)methylsulfanyl]-4-propyl-1,2,4-triazol-3-ol 5-[(5-bromo-2-thienyl)methylsulf…

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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) 3.33 7.18 -7.92 1 4 0 51 334.264 5 ↓

Analogs

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Popular Name: 3-[(5-bromo-2-thienyl)methylsulfanyl]-4-butyl-1H-1,2,4-triazol-5-one 3-[(5-bromo-2-thienyl)methylsulf…

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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) 3.89 7.96 -7.93 1 4 0 51 348.291 6 ↓

Analogs

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Popular Name: 3-[(5-bromo-2-thienyl)methylsulfanyl]-4-(3-methoxypropyl)-1H-1,2,4-triazol-5-one 3-[(5-bromo-2-thienyl)methylsulf…

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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) 2.70 6.26 -9.69 1 5 0 60 364.29 7 ↓

Analogs

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Popular Name: 3-[(5-bromo-2-thienyl)methylsulfanyl]-4-methyl-1H-1,2,4-triazol-5-one 3-[(5-bromo-2-thienyl)methylsulf…

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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) 2.45 5.47 -8.3 1 4 0 51 306.21 3 ↓

Parameters Provided:

ring.id = 246073
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 = 246073 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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