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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: 4-hydroxy-2-(8-quinolyl)-1H-pyrimidin-6-one 4-hydroxy-2-(8-quinolyl)-1H-pyri…

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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) 1.66 2.36 -59.87 1 5 -1 82 238.226 1 ↓
Ref Reference (pH 7) 1.66 2.41 -63.09 1 5 -1 82 238.226 1 ↓
Mid Mid (pH 6-8) 1.66 1.7 -27.26 2 5 0 83 239.234 1 ↓

Analogs

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Popular Name: 4-hydroxy-5-methyl-2-(8-quinolyl)-1H-pyrimidin-6-one 4-hydroxy-5-methyl-2-(8-quinolyl…

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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) 2.03 3.1 -57.62 1 5 -1 82 252.253 1 ↓
Mid Mid (pH 6-8) 2.03 2.44 -26.07 2 5 0 83 253.261 1 ↓

Analogs

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Popular Name: 5-ethyl-4-hydroxy-2-(8-quinolyl)-1H-pyrimidin-6-one 5-ethyl-4-hydroxy-2-(8-quinolyl)…

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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) 2.50 3.87 -57.34 1 5 -1 82 266.28 2 ↓
Mid Mid (pH 6-8) 2.50 3.19 -25.6 2 5 0 83 267.288 2 ↓

Analogs

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Popular Name: 4-hydroxy-5-propyl-2-(8-quinolyl)-1H-pyrimidin-6-one 4-hydroxy-5-propyl-2-(8-quinolyl…

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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) 2.89 4.65 -58.08 1 5 -1 82 280.307 3 ↓
Mid Mid (pH 6-8) 2.89 3.97 -25.58 2 5 0 83 281.315 3 ↓

Analogs

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Popular Name: 4-hydroxy-5-isopropyl-2-(8-quinolyl)-1H-pyrimidin-6-one 4-hydroxy-5-isopropyl-2-(8-quino…

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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) 2.62 4.48 -55.96 1 5 -1 82 280.307 2 ↓
Mid Mid (pH 6-8) 2.62 3.97 -24.43 2 5 0 83 281.315 2 ↓

Parameters Provided:

ring.id = 358900
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 = 358900 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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