UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 7-(5-bromothiophene-2-carbonyl)-6-chloro-4H-1,4-benzoxazin-3-one 7-(5-bromothiophene-2-carbonyl)-…

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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) 3.86 5.15 -7.77 1 4 0 55 372.627 2 ↓

Analogs

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Popular Name: 6-chloro-7-(3-methylthiophene-2-carbonyl)-4H-1,4-benzoxazin-3-one 6-chloro-7-(3-methylthiophene-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) 3.30 5.08 -9.03 1 4 0 55 307.758 2 ↓

Analogs

43639706
43639706

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Popular Name: 6-chloro-7-(5-methylthiophene-2-carbonyl)-4H-1,4-benzoxazin-3-one 6-chloro-7-(5-methylthiophene-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) 3.14 5.22 -9.3 1 4 0 55 307.758 2 ↓

Analogs

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Popular Name: 6-chloro-7-(thiophene-2-carbonyl)-4H-1,4-benzoxazin-3-one 6-chloro-7-(thiophene-2-carbonyl…

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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) 2.92 4.42 -9.29 1 4 0 55 293.731 2 ↓

Analogs

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Popular Name: 6-bromo-7-(5-bromothiophene-2-carbonyl)-4H-1,4-benzoxazin-3-one 6-bromo-7-(5-bromothiophene-2-ca…

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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) 3.99 5.25 -7.49 1 4 0 55 417.078 2 ↓

Analogs

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Popular Name: 6-bromo-7-(3-methylthiophene-2-carbonyl)-4H-1,4-benzoxazin-3-one 6-bromo-7-(3-methylthiophene-2-c…

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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) 3.43 5.2 -8.7 1 4 0 55 352.209 2 ↓

Analogs

43639707
43639707

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Popular Name: 6-bromo-7-(5-methylthiophene-2-carbonyl)-4H-1,4-benzoxazin-3-one 6-bromo-7-(5-methylthiophene-2-c…

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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) 3.28 5.34 -8.97 1 4 0 55 352.209 2 ↓

Analogs

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Popular Name: 6-bromo-7-(thiophene-2-carbonyl)-4H-1,4-benzoxazin-3-one 6-bromo-7-(thiophene-2-carbonyl)…

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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) 3.05 4.52 -8.97 1 4 0 55 338.182 2 ↓

Analogs

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Popular Name: 6-chloro-7-(5-chlorothiophene-2-carbonyl)-4H-1,4-benzoxazin-3-one 6-chloro-7-(5-chlorothiophene-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) 3.72 5.03 -7.79 1 4 0 55 328.176 2 ↓

Analogs

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Popular Name: 6-bromo-7-(5-chlorothiophene-2-carbonyl)-4H-1,4-benzoxazin-3-one 6-bromo-7-(5-chlorothiophene-2-c…

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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) 3.86 5.15 -7.51 1 4 0 55 372.627 2 ↓

Parameters Provided:

ring.id = 16461
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 = 16461 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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