UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 6-bromo-4-hydroxy-8-methylquinoline-3-carbonitrile 6-bromo-4-hydroxy-8-methylquinol…

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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) 2.53 5.88 -10.76 0 3 0 53 263.094 0 ↓
Mid Mid (pH 6-8) 2.85 5.71 -30.73 0 3 -1 60 262.086 0 ↓
Lo Low (pH 4.5-6) 1.55 6.13 -20.02 1 3 0 57 263.094 0 ↓

Analogs

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Popular Name: (4aR)-N-[(2-hydroxyphenyl)methyleneamino]-6-methyl-8-oxo-4a,7-dihydropyrido[3,2-e][1,4]thiazine-2-ca (4aR)-N-[(2-hydroxyphenyl)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) 1.60 1.57 -14.41 2 7 0 103 342.38 3 ↓
Hi High (pH 8-9.5) 1.60 2.35 -55.86 1 7 -1 106 341.372 3 ↓
Hi High (pH 8-9.5) 2.62 1.68 -45.61 2 7 -1 110 341.372 3 ↓

Analogs

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Popular Name: (8R)-8-(1,2-benzoxazol-3-yl)-7-hydroxy-8H-pyrido[1,2-b][1,2]benzoxazol-6-ium-9-one (8R)-8-(1,2-benzoxazol-3-yl)-7-h…

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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) -1.80 6.53 -34.81 1 6 1 82 319.296 1 ↓

Parameters Provided:

ring.id = 46126
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 = 46126 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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