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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

12251122
12251122
12251123
12251123

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Popular Name: (8R)-3-(3-chlorophenyl)-8-(3-nitrophenyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9- (8R)-3-(3-chlorophenyl)-8-(3-nit…

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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) 4.50 11.3 -13.21 0 7 0 93 426.885 3 ↓

Analogs

12251122
12251122
12251123
12251123

Draw Identity 99% 90% 80% 70%

Popular Name: (8S)-3-(3-chlorophenyl)-8-(3-nitrophenyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9- (8S)-3-(3-chlorophenyl)-8-(3-nit…

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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) 4.50 11.31 -13.37 0 7 0 93 426.885 3 ↓

Analogs

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Popular Name: (8R)-3-(4-chlorophenyl)-8-(3-nitrophenyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9- (8R)-3-(4-chlorophenyl)-8-(3-nit…

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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) 4.52 11.3 -13.24 0 7 0 93 426.885 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8S)-3-(4-chlorophenyl)-8-(3-nitrophenyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9- (8S)-3-(4-chlorophenyl)-8-(3-nit…

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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) 4.52 11.26 -13.5 0 7 0 93 426.885 3 ↓

Analogs

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Popular Name: (8R)-3-(4-bromophenyl)-8-(4-nitrophenyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-c (8R)-3-(4-bromophenyl)-8-(4-nitr…

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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) 4.68 10.98 -15.05 0 7 0 93 471.336 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8S)-3-(4-bromophenyl)-8-(4-nitrophenyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-c (8S)-3-(4-bromophenyl)-8-(4-nitr…

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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) 4.68 11.7 -14.01 0 7 0 93 471.336 3 ↓

Analogs

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Popular Name: (8S)-8-(2-chlorophenyl)-6-oxo-3-[3-(trifluoromethyl)phenyl]-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]th (8S)-8-(2-chlorophenyl)-6-oxo-3-…

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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) 4.94 11.96 -8.77 0 4 0 47 449.885 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8R)-8-(2-chlorophenyl)-6-oxo-3-[3-(trifluoromethyl)phenyl]-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]th (8R)-8-(2-chlorophenyl)-6-oxo-3-…

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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) 4.94 11.54 -9.7 0 4 0 47 449.885 3 ↓

Analogs

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Popular Name: (8S)-8-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-3-(4-chlorophenyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][ (8S)-8-(3-bromo-5-ethoxy-4-hydro…

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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) 5.27 10.6 -12.74 1 6 0 77 520.836 4 ↓
Hi High (pH 8-9.5) 5.27 11.52 -49.36 0 6 -1 80 519.828 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8R)-8-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-3-(4-chlorophenyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][ (8R)-8-(3-bromo-5-ethoxy-4-hydro…

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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) 5.27 10.6 -12.6 1 6 0 77 520.836 4 ↓
Hi High (pH 8-9.5) 5.27 11.52 -49.36 0 6 -1 80 519.828 4 ↓

Parameters Provided:

ring.id = 68443
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 = 68443 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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