UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

20713911
20713911

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

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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) 4.65 9.77 -12.31 0 4 0 43 375.449 3 ↓

Analogs

20713911
20713911

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

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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) 5.02 10.18 -12.77 0 4 0 43 389.476 3 ↓

Analogs

20713911
20713911

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

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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) 5.33 10.28 -11.85 0 4 0 43 409.894 3 ↓

Analogs

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Popular Name: 3-(4-chlorophenyl)-4-methyl-9-(2-thienylmethyl)-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) 5.70 10.7 -12.02 0 4 0 43 423.921 3 ↓

Analogs

20713911
20713911

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

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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 9.07 -13.06 0 5 0 52 405.475 4 ↓

Analogs

20713911
20713911

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-methoxyphenyl)-4-methyl-9-(2-thienylmethyl)-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) 5.08 9.48 -13.3 0 5 0 52 419.502 4 ↓

Analogs

20713911
20713911

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Popular Name: 3-(3,4-dimethoxyphenyl)-4-methyl-9-(2-thienylmethyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one 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) 4.67 9.4 -16.16 0 6 0 61 449.528 5 ↓

Analogs

20713911
20713911
20714143
20714143
13729644
13729644

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

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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) 4.69 8.41 -14.86 0 6 0 61 435.501 5 ↓

Analogs

20713911
20713911

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

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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) 4.69 8.4 -14.8 0 6 0 61 435.501 5 ↓

Parameters Provided:

ring.id = 564632
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 = 564632 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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