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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

21650747
21650747
21650788
21650788
15941727
15941727

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Popular Name: 6-chloro-7-(4-methylpiperazin-1-yl)sulfonyl-4H-1,4-benzoxazin-3-one 6-chloro-7-(4-methylpiperazin-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) 0.77 -0.62 -10.12 1 7 0 79 345.808 2 ↓

Analogs

14199350
14199350
12737021
12737021

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Popular Name: 7-(4-butanoylpiperazin-1-yl)sulfonyl-6-chloro-4H-1,4-benzoxazin-3-one 7-(4-butanoylpiperazin-1-yl)sulf…

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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) 1.53 2.3 -15.7 1 8 0 96 401.872 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-7-[4-(2,2-difluoroethyl)piperazin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one 6-chloro-7-[4-(2,2-difluoroethyl…

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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) 1.34 0.53 -12.88 1 7 0 79 395.815 4 ↓

Analogs

21650747
21650747
21650788
21650788
36139267
36139267

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-7-(4-ethylpiperazin-1-yl)sulfonyl-4H-1,4-benzoxazin-3-one 6-chloro-7-(4-ethylpiperazin-1-y…

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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) 1.15 0.18 -10 1 7 0 79 359.835 3 ↓
Mid Mid (pH 6-8) 1.15 2.38 -46.84 2 7 1 80 360.843 3 ↓

Analogs

35481868
35481868

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Popular Name: 6-methyl-7-(4-propylpiperazin-1-yl)sulfonyl-4H-1,4-benzoxazin-3-one 6-methyl-7-(4-propylpiperazin-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) 1.42 1 -11.14 1 7 0 79 353.444 4 ↓
Mid Mid (pH 6-8) 1.42 3.21 -51.89 2 7 1 80 354.452 4 ↓

Parameters Provided:

ring.id = 66828
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 = 66828 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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