UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

13723913
13723913
20650884
20650884
13736258
13736258

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Popular Name: 3-(2-methoxyphenyl)-9-(2-morpholinoethyl)-2-(trifluoromethyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxaz 3-(2-methoxyphenyl)-9-(2-morphol…

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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) 4.17 5.17 -10.51 0 7 0 64 490.478 6 ↓
Mid Mid (pH 6-8) 4.17 7.44 -49.7 1 7 1 66 491.486 6 ↓

Analogs

20650884
20650884
13691810
13691810
13727954
13727954

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Popular Name: 3-(4-chlorophenyl)-9-(2-morpholinoethyl)-2-(trifluoromethyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazi 3-(4-chlorophenyl)-9-(2-morpholi…

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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) 4.84 6.36 -7.39 0 6 0 55 494.897 5 ↓
Mid Mid (pH 6-8) 4.84 8.63 -47.49 1 6 1 56 495.905 5 ↓

Analogs

20650884
20650884
13685741
13685741
13727954
13727954

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-methoxyphenyl)-9-(2-morpholinoethyl)-2-(trifluoromethyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxaz 3-(4-methoxyphenyl)-9-(2-morphol…

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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) 4.22 5.14 -8.84 0 7 0 64 490.478 6 ↓
Mid Mid (pH 6-8) 4.22 7.41 -48.66 1 7 1 66 491.486 6 ↓

Analogs

20646746
20646746
12409203
12409203
20648046
20648046
20649787
20649787

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Popular Name: 3-(3,4-dimethoxyphenyl)-2-methyl-9-(2-morpholinoethyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-on 3-(3,4-dimethoxyphenyl)-2-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) 2.90 4.79 -14.63 0 8 0 74 466.534 6 ↓
Mid Mid (pH 6-8) 2.90 7.63 -59.87 1 8 1 75 467.542 6 ↓
Mid Mid (pH 6-8) 2.90 7.06 -56.2 1 8 1 75 467.542 6 ↓

Analogs

20650884
20650884
13685741
13685741
13727954
13727954

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(3,4-dimethoxyphenyl)-9-(2-morpholinoethyl)-2-(trifluoromethyl)-8,10-dihydropyrano[2,3-f][1,3]benz 3-(3,4-dimethoxyphenyl)-9-(2-mor…

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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) 3.81 5.05 -11.15 0 8 0 74 520.504 7 ↓
Mid Mid (pH 6-8) 3.81 7.32 -51.39 1 8 1 75 521.512 7 ↓

Analogs

20625287
20625287
20646629
20646629

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Popular Name: 3-(4-bromophenyl)-9-(2-morpholinoethyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one 3-(4-bromophenyl)-9-(2-morpholin…

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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) 3.84 5.61 -11.07 0 6 0 55 471.351 4 ↓
Mid Mid (pH 6-8) 3.84 7.87 -52.32 1 6 1 56 472.359 4 ↓
Lo Low (pH 4.5-6) 3.84 8.45 -56.61 1 6 1 56 472.359 4 ↓

Parameters Provided:

ring.id = 565703
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 = 565703 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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