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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

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Popular Name: 3-[(4-tert-butylphenoxy)methyl]-6-[4-(difluoromethoxy)phenyl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadi 3-[(4-tert-butylphenoxy)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) 5.82 3.06 -16.03 0 6 0 62 444.507 7 ↓

Analogs

13013784
13013784
13013789
13013789
13013791
13013791

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Popular Name: 2-[(7R)-3-[(3,5-dimethylphenoxy)methyl]-6-(p-tolyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl] 2-[(7R)-3-[(3,5-dimethylphenoxy)…

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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) 4.28 12.17 -53.91 0 7 -1 92 421.502 6 ↓

Analogs

13013789
13013789
13013791
13013791
13013783
13013783

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(7S)-3-[(3,5-dimethylphenoxy)methyl]-6-(p-tolyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl] 2-[(7S)-3-[(3,5-dimethylphenoxy)…

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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) 4.28 12.19 -51.88 0 7 -1 92 421.502 6 ↓

Analogs

13013787
13013787

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Popular Name: 2-[(7S)-6-(4-chlorophenyl)-3-[(3,5-dimethylphenoxy)methyl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazi 2-[(7S)-6-(4-chlorophenyl)-3-[(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) 4.51 12.03 -49.44 0 7 -1 92 441.92 6 ↓

Analogs

13013785
13013785

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Popular Name: 2-[(7R)-6-(4-chlorophenyl)-3-[(3,5-dimethylphenoxy)methyl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazi 2-[(7R)-6-(4-chlorophenyl)-3-[(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) 4.51 12.02 -51.49 0 7 -1 92 441.92 6 ↓

Analogs

13013791
13013791
13013783
13013783
13013784
13013784

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(7S)-3-[(3,5-dimethylphenoxy)methyl]-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]ace 2-[(7S)-3-[(3,5-dimethylphenoxy)…

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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 11.5 -54.2 0 7 -1 92 407.475 6 ↓

Analogs

13013783
13013783
13013784
13013784
13013789
13013789

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(7R)-3-[(3,5-dimethylphenoxy)methyl]-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]ace 2-[(7R)-3-[(3,5-dimethylphenoxy)…

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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 11.5 -54.16 0 7 -1 92 407.475 6 ↓

Analogs

13013794
13013794

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Popular Name: 2-[(7S)-3-[(3,5-dimethylphenoxy)methyl]-6-(4-fluorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazi 2-[(7S)-3-[(3,5-dimethylphenoxy)…

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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 11.58 -49.67 0 7 -1 92 425.465 6 ↓

Analogs

13013793
13013793

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Popular Name: 2-[(7R)-3-[(3,5-dimethylphenoxy)methyl]-6-(4-fluorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazi 2-[(7R)-3-[(3,5-dimethylphenoxy)…

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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 11.58 -51.69 0 7 -1 92 425.465 6 ↓

Analogs

13013798
13013798
13013804
13013804
13013806
13013806

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(7R)-3-[(2,6-dimethylphenoxy)methyl]-6-(p-tolyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl] 2-[(7R)-3-[(2,6-dimethylphenoxy)…

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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) 4.26 12.38 -52.39 0 7 -1 92 421.502 6 ↓

Analogs

13013804
13013804
13013806
13013806
13013797
13013797

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(7S)-3-[(2,6-dimethylphenoxy)methyl]-6-(p-tolyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl] 2-[(7S)-3-[(2,6-dimethylphenoxy)…

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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) 4.26 12.39 -52.25 0 7 -1 92 421.502 6 ↓

Analogs

13013802
13013802

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Popular Name: 2-[(7S)-6-(4-chlorophenyl)-3-[(2,6-dimethylphenoxy)methyl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazi 2-[(7S)-6-(4-chlorophenyl)-3-[(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) 4.48 12.23 -49.9 0 7 -1 92 441.92 6 ↓

Analogs

13013800
13013800

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(7R)-6-(4-chlorophenyl)-3-[(2,6-dimethylphenoxy)methyl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazi 2-[(7R)-6-(4-chlorophenyl)-3-[(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) 4.48 12.23 -51.46 0 7 -1 92 441.92 6 ↓

Analogs

13013806
13013806
13013797
13013797
13013798
13013798

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(7S)-3-[(2,6-dimethylphenoxy)methyl]-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]ace 2-[(7S)-3-[(2,6-dimethylphenoxy)…

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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) 3.81 11.71 -54.14 0 7 -1 92 407.475 6 ↓

Analogs

13013797
13013797
13013798
13013798
13013804
13013804

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(7R)-3-[(2,6-dimethylphenoxy)methyl]-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]ace 2-[(7R)-3-[(2,6-dimethylphenoxy)…

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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) 3.81 11.71 -54.14 0 7 -1 92 407.475 6 ↓

Analogs

13013809
13013809

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Popular Name: 2-[(7S)-3-[(2,6-dimethylphenoxy)methyl]-6-(4-fluorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazi 2-[(7S)-3-[(2,6-dimethylphenoxy)…

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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) 3.97 11.78 -50.17 0 7 -1 92 425.465 6 ↓

Analogs

13013808
13013808

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Popular Name: 2-[(7R)-3-[(2,6-dimethylphenoxy)methyl]-6-(4-fluorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazi 2-[(7R)-3-[(2,6-dimethylphenoxy)…

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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) 3.97 11.78 -51.61 0 7 -1 92 425.465 6 ↓

Parameters Provided:

ring.id = 99997
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 = 99997 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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