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

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Popular Name: 5-(3,4-dihydro-2H-quinoline-1-carbonyl)pyran-2-one 5-(3,4-dihydro-2H-quinoline-1-ca…

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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) 2.28 7.96 -12.68 0 4 0 51 255.273 1 ↓

Analogs

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Popular Name: 5-(6-amino-3,4-dihydro-2H-quinoline-1-carbonyl)pyran-2-one 5-(6-amino-3,4-dihydro-2H-quinol…

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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) 1.33 5.83 -13.28 2 5 0 77 270.288 1 ↓

Analogs

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Popular Name: 5-[(3S)-3-amino-3,4-dihydro-2H-quinoline-1-carbonyl]pyran-2-one 5-[(3S)-3-amino-3,4-dihydro-2H-q…

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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) 0.63 5.18 -69.27 3 5 1 78 271.296 1 ↓
Hi High (pH 8-9.5) 0.63 4.86 -11.25 2 5 0 77 270.288 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(3R)-3-amino-3,4-dihydro-2H-quinoline-1-carbonyl]pyran-2-one 5-[(3R)-3-amino-3,4-dihydro-2H-q…

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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) 0.63 5.32 -66.68 3 5 1 78 271.296 1 ↓
Hi High (pH 8-9.5) 0.63 4.98 -11.43 2 5 0 77 270.288 1 ↓

Parameters Provided:

ring.id = 221572
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 = 221572 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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