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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-[(5-fluoro-8-quinolyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine 7-[(5-fluoro-8-quinolyl)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) 1.85 6.69 -9.49 0 4 0 42 294.333 2 ↓
Lo Low (pH 4.5-6) 1.85 8.98 -44.74 1 4 1 43 295.341 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-[(6-fluoro-8-quinolyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine 7-[(6-fluoro-8-quinolyl)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) 0.57 6.72 -9.33 0 4 0 42 294.333 2 ↓
Lo Low (pH 4.5-6) 0.57 9 -42.49 1 4 1 43 295.341 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-[(5-chloro-8-quinolyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine 7-[(5-chloro-8-quinolyl)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) 2.37 7.08 -8.97 0 4 0 42 310.788 2 ↓
Lo Low (pH 4.5-6) 2.37 9.35 -43.94 1 4 1 43 311.796 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-[(6-chloro-8-quinolyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine 7-[(6-chloro-8-quinolyl)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) 2.06 7.16 -8.9 0 4 0 42 310.788 2 ↓
Lo Low (pH 4.5-6) 2.06 9.44 -41.31 1 4 1 43 311.796 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-[(7-chloro-8-quinolyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine 7-[(7-chloro-8-quinolyl)methyl]-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.06 7.26 -9.49 0 4 0 42 310.788 2 ↓
Lo Low (pH 4.5-6) 2.06 9.58 -35.03 1 4 1 43 311.796 2 ↓

Parameters Provided:

ring.id = 352281
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 = 352281 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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