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

Analogs

12854788
12854788

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Popular Name: (4R)-2-(2-furyl)-4-phenyl-7,8-dihydro-4H-[1,4]dioxino[2,3-g][3,1]benzoxazine (4R)-2-(2-furyl)-4-phenyl-7,8-di…

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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) 3.62 6.46 -11.12 0 5 0 53 333.343 2 ↓

Analogs

12854782
12854782

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Popular Name: (4S)-2-(2-furyl)-4-phenyl-7,8-dihydro-4H-[1,4]dioxino[2,3-g][3,1]benzoxazine (4S)-2-(2-furyl)-4-phenyl-7,8-di…

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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) 3.62 6.31 -12.34 0 5 0 53 333.343 2 ↓

Analogs

12854829
12854829

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Popular Name: (4S)-2-(4-fluorophenyl)-4-(p-tolyl)-7,8-dihydro-4H-[1,4]dioxino[2,3-g][3,1]benzoxazine (4S)-2-(4-fluorophenyl)-4-(p-tol…

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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) 4.97 9.18 -9.45 0 4 0 40 375.399 2 ↓

Analogs

12854824
12854824

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Popular Name: (4R)-2-(4-fluorophenyl)-4-(p-tolyl)-7,8-dihydro-4H-[1,4]dioxino[2,3-g][3,1]benzoxazine (4R)-2-(4-fluorophenyl)-4-(p-tol…

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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) 4.97 9.51 -8.28 0 4 0 40 375.399 2 ↓

Analogs

12854841
12854841

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Popular Name: (4S)-2-(4-chlorophenyl)-4-(4-methoxyphenyl)-7,8-dihydro-4H-[1,4]dioxino[2,3-g][3,1]benzoxazine (4S)-2-(4-chlorophenyl)-4-(4-met…

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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) 5.10 8.25 -10.1 0 5 0 49 407.853 3 ↓

Analogs

12854835
12854835

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Popular Name: (4R)-2-(4-chlorophenyl)-4-(4-methoxyphenyl)-7,8-dihydro-4H-[1,4]dioxino[2,3-g][3,1]benzoxazine (4R)-2-(4-chlorophenyl)-4-(4-met…

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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) 5.10 8.59 -8.75 0 5 0 49 407.853 3 ↓

Analogs

12854853
12854853

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Popular Name: (4S)-4-(4-bromophenyl)-2-(2-thienyl)-7,8-dihydro-4H-[1,4]dioxino[2,3-g][3,1]benzoxazine (4S)-4-(4-bromophenyl)-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) 5.07 7.99 -10.52 0 4 0 40 428.307 2 ↓

Analogs

12854847
12854847

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Popular Name: (4R)-4-(4-bromophenyl)-2-(2-thienyl)-7,8-dihydro-4H-[1,4]dioxino[2,3-g][3,1]benzoxazine (4R)-4-(4-bromophenyl)-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) 5.07 8.02 -8.92 0 4 0 40 428.307 2 ↓

Analogs

15023772
15023772

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Popular Name: (4S)-N,4-bis(4-chlorophenyl)-7,8-dihydro-4H-[1,4]dioxino[2,3-g][3,1]benzoxazin-2-amine (4S)-N,4-bis(4-chlorophenyl)-7,8…

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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) 5.59 8.97 -10.14 1 5 0 52 427.287 3 ↓

Analogs

18210596
18210596

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Popular Name: (4S)-4-(2-chlorophenyl)-2-(3-iodophenyl)-7,8-dihydro-4H-[1,4]dioxino[2,3-g][3,1]benzoxazine (4S)-4-(2-chlorophenyl)-2-(3-iod…

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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) 6.05 10.04 -9.44 0 4 0 40 503.723 2 ↓

Analogs

12854916
12854916

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Popular Name: (4R)-2-(3-bromophenyl)-4-(2-chlorophenyl)-6,7-dimethoxy-4H-3,1-benzoxazine (4R)-2-(3-bromophenyl)-4-(2-chlo…

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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) 5.92 9.26 -9.27 0 4 0 40 458.739 4 ↓

Analogs

12854910
12854910

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Popular Name: (4S)-2-(3-bromophenyl)-4-(2-chlorophenyl)-6,7-dimethoxy-4H-3,1-benzoxazine (4S)-2-(3-bromophenyl)-4-(2-chlo…

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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) 5.92 9.65 -9.46 0 4 0 40 458.739 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-5H-indazolo[2,3-a][3,1]benzoxazine-9-carboxylic 3-chloro-5H-indazolo[2,3-a][3,1]…

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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) 3.68 7.46 -52.52 0 5 -1 67 299.693 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methyl-5H-indazolo[2,3-a][3,1]benzoxazine-9-carboxylic 3-methyl-5H-indazolo[2,3-a][3,1]…

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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) 3.46 7.62 -55.42 0 5 -1 67 279.275 1 ↓
Lo Low (pH 4.5-6) 3.46 7.75 -43.06 1 5 0 68 280.283 1 ↓

Parameters Provided:

ring.id = 107680
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 = 107680 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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