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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: 3-oxo-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-2,3-dihydro-4-pyridazinecarboxylic acid 3-oxo-6-(2-phenylpyrazolo[1,5-a]…

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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) 2.86 5.66 -52.37 1 7 -1 103 331.311 3 ↓
Hi High (pH 8-9.5) 2.86 6.67 -140.21 0 7 -2 106 330.303 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-oxo-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-2,3-dihydro-4-pyridazinecarboxamide 3-oxo-6-(2-phenylpyrazolo[1,5-a]…

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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) 2.11 3.37 -65.12 2 7 -1 109 330.327 3 ↓
Lo Low (pH 4.5-6) 1.65 3.99 -13.23 3 7 0 106 331.335 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-4-pyridazinecarbonitrile 3-chloro-6-(2-phenylpyrazolo[1,5…

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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) 3.94 9.2 -12.46 0 5 0 67 331.766 2 ↓

Parameters Provided:

ring.id = 252777
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 = 252777 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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