UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

20624951
20624951

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Popular Name: 3-phenyl-9-[2-(2-thienyl)ethyl]-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one 3-phenyl-9-[2-(2-thienyl)ethyl]-…

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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) 5.05 10.55 -12.42 0 4 0 43 389.476 4 ↓
Mid Mid (pH 6-8) 5.05 13.4 -47.75 1 4 1 44 390.484 4 ↓

Analogs

20624951
20624951
12442462
12442462
12442405
12442405

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Popular Name: 4-methyl-3-phenyl-9-[2-(2-thienyl)ethyl]-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one 4-methyl-3-phenyl-9-[2-(2-thieny…

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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) 5.43 10.97 -12.93 0 4 0 43 403.503 4 ↓
Mid Mid (pH 6-8) 5.43 13.86 -48.19 1 4 1 44 404.511 4 ↓

Analogs

20624951
20624951
20647252
20647252

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Popular Name: 3-(4-chlorophenyl)-9-[2-(2-thienyl)ethyl]-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one 3-(4-chlorophenyl)-9-[2-(2-thien…

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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) 5.73 11.08 -11.97 0 4 0 43 423.921 4 ↓
Lo Low (pH 4.5-6) 5.73 13.95 -48.5 1 4 1 44 424.929 4 ↓

Analogs

13721459
13721459
13728954
13728954
20624951
20624951

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-chlorophenyl)-4-methyl-9-[2-(2-thienyl)ethyl]-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one 3-(4-chlorophenyl)-4-methyl-9-[2…

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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) 6.11 11.49 -12.12 0 4 0 43 437.948 4 ↓
Mid Mid (pH 6-8) 6.11 14.35 -48.61 1 4 1 44 438.956 4 ↓

Analogs

20647252
20647252

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Popular Name: 3-(4-methoxyphenyl)-9-[2-(2-thienyl)ethyl]-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one 3-(4-methoxyphenyl)-9-[2-(2-thie…

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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) 5.11 9.85 -13.1 0 5 0 52 419.502 5 ↓
Mid Mid (pH 6-8) 5.11 12.72 -49.16 1 5 1 53 420.51 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-methoxyphenyl)-4-methyl-9-[2-(2-thienyl)ethyl]-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one 3-(4-methoxyphenyl)-4-methyl-9-[…

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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) 5.49 10.27 -13.39 0 5 0 52 433.529 5 ↓
Mid Mid (pH 6-8) 5.49 13.12 -49.34 1 5 1 53 434.537 5 ↓

Analogs

13655999
13655999

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Popular Name: 3-(3,4-dimethoxyphenyl)-9-[2-(2-thienyl)ethyl]-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one 3-(3,4-dimethoxyphenyl)-9-[2-(2-…

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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) 4.70 9.75 -15.63 0 6 0 61 449.528 6 ↓
Mid Mid (pH 6-8) 4.70 12.62 -52.27 1 6 1 62 450.536 6 ↓

Analogs

13655999
13655999
20650908
20650908

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Popular Name: 3-(3,4-dimethoxyphenyl)-4-methyl-9-[2-(2-thienyl)ethyl]-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-o 3-(3,4-dimethoxyphenyl)-4-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) 5.08 10.19 -16.27 0 6 0 61 463.555 6 ↓
Mid Mid (pH 6-8) 5.08 13.05 -52.69 1 6 1 62 464.563 6 ↓

Analogs

20624903
20624903
20647252
20647252

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2,4-dimethoxyphenyl)-9-[2-(2-thienyl)ethyl]-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one 3-(2,4-dimethoxyphenyl)-9-[2-(2-…

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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) 5.09 9.21 -15.05 0 6 0 61 449.528 6 ↓
Mid Mid (pH 6-8) 5.09 12.06 -50.18 1 6 1 62 450.536 6 ↓

Analogs

20624903
20624903
12442413
12442413

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Popular Name: 3-(2,5-dimethoxyphenyl)-9-[2-(2-thienyl)ethyl]-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one 3-(2,5-dimethoxyphenyl)-9-[2-(2-…

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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) 5.09 9.18 -14.86 0 6 0 61 449.528 6 ↓
Mid Mid (pH 6-8) 5.09 12.05 -49.42 1 6 1 62 450.536 6 ↓

Parameters Provided:

ring.id = 564663
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 = 564663 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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