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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: 2-[(3,4-diethoxyphenyl)amino]-3-nitro-pyrido[2,1-b]pyrimidin-4-one 2-[(3,4-diethoxyphenyl)amino]-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) 3.45 10.84 -24.05 1 9 0 111 370.365 7 ↓

Analogs

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Popular Name: 2-[[4-(ethyl-isopropyl-amino)phenyl]amino]-3-nitro-pyrido[2,1-b]pyrimidin-4-one 2-[[4-(ethyl-isopropyl-amino)phe…

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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) 4.21 12.46 -55.23 2 8 0 97 368.417 6 ↓
Hi High (pH 8-9.5) 4.40 11.61 -65.09 1 8 0 103 367.409 5 ↓

Analogs

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Popular Name: 4-[(3-formyl-4-keto-9-methyl-pyrido[1,2-a]pyrimidin-2-yl)amino]benzenesulfonamide 4-[(3-formyl-4-keto-9-methyl-pyr…

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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) 1.98 5.51 -27.14 3 8 0 124 358.379 4 ↓

Analogs

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Popular Name: 2-[4-(difluoromethylthio)anilino]-4-keto-9-methyl-pyrido[1,2-a]pyrimidine-3-carbaldehyde-oxime 2-[4-(difluoromethylthio)anilino…

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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) 4.91 8.66 -18.07 2 6 0 79 376.388 5 ↓

Parameters Provided:

ring.id = 86153
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 = 86153 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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