UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-(3-pyridyl)oxazole-4-carboxylic 2-(3-pyridyl)oxazole-4-carboxylic

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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 1.76 -52.01 0 5 -1 79 189.15 2 ↓
Lo Low (pH 4.5-6) 0.88 2.23 -66.47 1 5 0 80 190.158 2 ↓

Analogs

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Popular Name: 2-(3-pyridyl)oxazole 2-(3-pyridyl)oxazole

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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) 1.07 1.22 -7.36 0 3 0 39 146.149 1 ↓
Lo Low (pH 4.5-6) 1.07 1.67 -37.18 1 3 1 40 147.157 1 ↓

Analogs

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Popular Name: 2-(3-pyridyl)oxazole-5-carboxylic 2-(3-pyridyl)oxazole-5-carboxylic

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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 2.24 -47.06 0 5 -1 79 189.15 2 ↓
Lo Low (pH 4.5-6) 0.88 2.69 -63.72 1 5 0 80 190.158 2 ↓

Analogs

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Popular Name: methyl methyl

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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) 1.15 1.8 -9.45 0 5 0 65 204.185 3 ↓
Lo Low (pH 4.5-6) 1.15 2.25 -42.64 1 5 1 66 205.193 3 ↓

Parameters Provided:

ring.id = 25019
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 = 25019 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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