UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-chloro-6-[[5-(trifluoromethyl)-2-pyridyl]sulfanyl]pyrazine 2-chloro-6-[[5-(trifluoromethyl)…

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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) 3.45 5.64 -6.72 0 3 0 39 291.685 3 ↓

Analogs

70615092
70615092
70615107
70615107
70615122
70615122
70615137
70615137

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Popular Name: 2-chloro-6-(2-pyridylsulfanyl)pyrazine 2-chloro-6-(2-pyridylsulfanyl)py…

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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) 2.55 4.69 -7.03 0 3 0 39 223.688 2 ↓

Analogs

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Popular Name: 6-pyrazin-2-ylsulfanylpyridine-3-carboxylic 6-pyrazin-2-ylsulfanylpyridine-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) 1.33 4.82 -48.18 0 5 -1 79 232.244 3 ↓

Analogs

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Popular Name: 4,6-dimethyl-2-pyrazin-2-ylsulfanyl-pyridine-3-carboxylic 4,6-dimethyl-2-pyrazin-2-ylsulfa…

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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) 2.09 6.1 -56.13 0 5 -1 79 260.298 3 ↓
Lo Low (pH 4.5-6) 2.09 5.55 -43.98 1 5 0 80 261.306 3 ↓

Parameters Provided:

ring.id = 130499
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 = 130499 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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