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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-methyl-1-phenyl-N-[(6-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)methyl]methanamine N-methyl-1-phenyl-N-[(6-phenyl-[…

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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) 3.39 9.31 -10.48 0 5 0 46 335.436 5 ↓
Mid Mid (pH 6-8) 3.39 11.61 -40.14 1 5 1 48 336.444 5 ↓

Analogs

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Popular Name: N-benzyl-N-methyl-1-[6-(o-tolyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methanamine N-benzyl-N-methyl-1-[6-(o-tolyl)…

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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) 3.79 10.15 -10.35 0 5 0 46 349.463 5 ↓
Mid Mid (pH 6-8) 3.79 12.46 -40.66 1 5 1 48 350.471 5 ↓

Analogs

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Popular Name: N-benzyl-N-methyl-1-[6-(m-tolyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methanamine N-benzyl-N-methyl-1-[6-(m-tolyl)…

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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 10.02 -10.46 0 5 0 46 349.463 5 ↓
Mid Mid (pH 6-8) 3.81 12.35 -40.81 1 5 1 48 350.471 5 ↓

Analogs

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Popular Name: N-benzyl-N-methyl-1-[6-(p-tolyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methanamine N-benzyl-N-methyl-1-[6-(p-tolyl)…

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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) 3.84 10.03 -10.51 0 5 0 46 349.463 5 ↓
Mid Mid (pH 6-8) 3.84 12.36 -40.69 1 5 1 48 350.471 5 ↓

Analogs

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Popular Name: N-benzyl-1-[6-(3,4-dimethylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-N-methyl-methanamin N-benzyl-1-[6-(3,4-dimethylpheny…

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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) 4.21 10.51 -10.03 0 5 0 46 363.49 5 ↓
Mid Mid (pH 6-8) 4.21 12.82 -39.85 1 5 1 48 364.498 5 ↓

Analogs

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Popular Name: N-[[6-(2-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl]-N-methyl-1-phenyl-methan N-[[6-(2-chlorophenyl)-[1,2,4]tr…

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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) 4.02 10.04 -11.94 0 5 0 46 369.881 5 ↓
Mid Mid (pH 6-8) 4.02 12.34 -38.56 1 5 1 48 370.889 5 ↓

Analogs

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Popular Name: N-[[6-(3-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl]-N-methyl-1-phenyl-methan N-[[6-(3-chlorophenyl)-[1,2,4]tr…

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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) 4.04 9.9 -10.51 0 5 0 46 369.881 5 ↓
Mid Mid (pH 6-8) 4.04 12.19 -43.43 1 5 1 48 370.889 5 ↓

Analogs

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Popular Name: N-[[6-(2-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl]-N-methyl-1-phenyl-methan N-[[6-(2-fluorophenyl)-[1,2,4]tr…

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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 9.51 -13.1 0 5 0 46 353.426 5 ↓
Mid Mid (pH 6-8) 3.50 11.81 -39.13 1 5 1 48 354.434 5 ↓

Analogs

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Popular Name: N-[[6-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl]-N-methyl-1-phenyl-methan N-[[6-(4-fluorophenyl)-[1,2,4]tr…

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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) 3.55 9.46 -10.6 0 5 0 46 353.426 5 ↓
Mid Mid (pH 6-8) 3.55 11.75 -43.04 1 5 1 48 354.434 5 ↓

Analogs

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Popular Name: N-[[6-(3-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl]-N-methyl-1-phenyl-metha N-[[6-(3-methoxyphenyl)-[1,2,4]t…

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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) 3.42 8.69 -11.43 0 6 0 56 365.462 6 ↓
Mid Mid (pH 6-8) 3.42 10.98 -43.03 1 6 1 57 366.47 6 ↓

Analogs

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Popular Name: 3-[3-[[benzyl(methyl)amino]methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-N,N-dimethyl-anilin 3-[3-[[benzyl(methyl)amino]methy…

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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) 3.47 9.75 -10.66 0 6 0 50 378.505 6 ↓
Mid Mid (pH 6-8) 3.47 12.1 -41.1 1 6 1 51 379.513 6 ↓

Parameters Provided:

ring.id = 506760
filter.purchasability = annotated
page.format = targets
page.num = 1

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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 = 506760 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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