UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

45619520
45619520
45631172
45631172
45631173
45631173
32854565
32854565
32854567
32854567

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Popular Name: (2S)-4-[2-(2,5-dichlorophenoxy)acetyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide (2S)-4-[2-(2,5-dichlorophenoxy)a…

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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) 3.29 8.23 -20.72 1 6 0 68 395.242 4 ↓

Analogs

45631172
45631172
45631173
45631173
45619517
45619517
32854565
32854565
32854567
32854567

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Popular Name: (2R)-4-[2-(2,5-dichlorophenoxy)acetyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide (2R)-4-[2-(2,5-dichlorophenoxy)a…

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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) 3.29 8.17 -20.89 1 6 0 68 395.242 4 ↓

Analogs

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Popular Name: 1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-(3-methoxyphenoxy)ethanone 1-(2,3-dihydro-1,4-benzoxazin-4-…

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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) 2.94 7.09 -17.42 0 5 0 48 299.326 4 ↓

Analogs

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Popular Name: 1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-(4-ethoxyphenoxy)ethanone 1-(2,3-dihydro-1,4-benzoxazin-4-…

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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) 3.35 8 -15.09 0 5 0 48 313.353 5 ↓

Analogs

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Popular Name: 1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-(4-ethylphenoxy)ethanone 1-(2,3-dihydro-1,4-benzoxazin-4-…

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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) 3.83 9.23 -14.25 0 4 0 39 297.354 4 ↓

Analogs

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Popular Name: 1-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-2-phenoxy-ethanone 1-(6-fluoro-2,3-dihydro-1,4-benz…

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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 7.85 -16.3 0 4 0 39 287.29 3 ↓

Analogs

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Popular Name: 1-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(4-methylphenoxy)ethanone 1-(6-fluoro-2,3-dihydro-1,4-benz…

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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) 3.50 8.52 -16.18 0 4 0 39 301.317 3 ↓

Analogs

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Popular Name: 1-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(2-methoxyphenoxy)ethanone 1-(6-fluoro-2,3-dihydro-1,4-benz…

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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) 2.67 7.61 -20.01 0 5 0 48 317.316 4 ↓

Analogs

14241167
14241167
7825882
7825882
7825885
7825885

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Popular Name: (2S)-4-[2-(4-chloro-2-methyl-phenoxy)acetyl]-N,N-dimethyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide (2S)-4-[2-(4-chloro-2-methyl-phe…

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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) 2.86 10.14 -19.42 0 6 0 59 388.851 4 ↓

Analogs

14241166
14241166
7825882
7825882

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Popular Name: (2R)-4-[2-(4-chloro-2-methyl-phenoxy)acetyl]-N,N-dimethyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide (2R)-4-[2-(4-chloro-2-methyl-phe…

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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) 2.86 10.15 -19.19 0 6 0 59 388.851 4 ↓

Analogs

14244868
14244868

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Popular Name: (2S)-4-[2-(4-chloro-3-methyl-phenoxy)acetyl]-N,N-dimethyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide (2S)-4-[2-(4-chloro-3-methyl-phe…

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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) 2.86 10.03 -19.75 0 6 0 59 388.851 4 ↓

Analogs

14244867
14244867

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Popular Name: (2R)-4-[2-(4-chloro-3-methyl-phenoxy)acetyl]-N,N-dimethyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide (2R)-4-[2-(4-chloro-3-methyl-phe…

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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) 2.86 10.02 -19.9 0 6 0 59 388.851 4 ↓

Analogs

33755814
33755814
33755815
33755815
33755816
33755816
33755817
33755817
33755819
33755819

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Popular Name: methyl 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) 3.44 9.71 -15.83 0 6 0 65 361.781 5 ↓

Analogs

33755814
33755814
33755815
33755815
33755816
33755816
33755817
33755817
33755819
33755819

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Popular Name: methyl 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) 3.44 9.72 -15.85 0 6 0 65 361.781 5 ↓

Parameters Provided:

ring.id = 17041
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 = 17041 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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