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

Analogs

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Popular Name: 3-(4-pyridyl)isoxazole-5-carbonitrile 3-(4-pyridyl)isoxazole-5-carboni…

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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) 0.80 3.83 -7.55 0 4 0 63 171.159 1 ↓
Lo Low (pH 4.5-6) 0.80 4.29 -44.24 1 4 1 64 172.167 1 ↓

Analogs

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Popular Name: [5-methyl-3-(4-pyridyl)isoxazol-4-yl]methanol [5-methyl-3-(4-pyridyl)isoxazol-…

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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) 0.29 1.39 -9.71 1 4 0 59 190.202 2 ↓
Lo Low (pH 4.5-6) 0.29 1.84 -41.43 2 4 1 60 191.21 2 ↓

Analogs

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Popular Name: MFCD19103269 MFCD19103269

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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) 1.36 5.49 -8.35 0 4 0 56 216.24 3 ↓
Lo Low (pH 4.5-6) 1.36 5.95 -40.59 1 4 1 57 217.248 3 ↓

Parameters Provided:

ring.id = 25299
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 = 25299 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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