UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

4167061
4167061
8569226
8569226
8569240
8569240

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Popular Name: 6-amino-4-(3-ethoxy-4-methoxyphenyl)-3-(2-thienyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile 6-amino-4-(3-ethoxy-4-methoxyphe…

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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) 2.70 3.5 -10.93 3 7 0 106 394.456 5 ↓

Analogs

8569226
8569226
8569240
8569240
4167052
4167052

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Popular Name: 6-amino-4-(3-ethoxy-4-methoxyphenyl)-3-(2-thienyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile 6-amino-4-(3-ethoxy-4-methoxyphe…

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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) 2.70 3.88 -11.52 3 7 0 106 394.456 5 ↓

Analogs

4167844
4167844

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Popular Name: 6-amino-4-(3-bromo-4-methoxyphenyl)-3-(2-thienyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile 6-amino-4-(3-bromo-4-methoxyphen…

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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) 3.47 3.38 -10.19 3 6 0 97 429.299 3 ↓
Lo Low (pH 4.5-6) 3.47 4.32 -56.82 4 6 1 99 430.307 3 ↓

Analogs

4167843
4167843

Draw Identity 99% 90% 80% 70%

Popular Name: 6-amino-4-(3-bromo-4-methoxyphenyl)-3-(2-thienyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile 6-amino-4-(3-bromo-4-methoxyphen…

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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) 3.47 3.72 -10.1 3 6 0 97 429.299 3 ↓
Lo Low (pH 4.5-6) 3.47 4.67 -61.3 4 6 1 99 430.307 3 ↓

Parameters Provided:

ring.id = 246120
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 = 246120 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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