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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-(2-phenoxy-3-pyridyl)-N-(2-pyridylmethyl)methanamine 1-(2-phenoxy-3-pyridyl)-N-(2-pyr…

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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) 2.53 -1.81 -42.42 2 4 1 52 292.362 6 ↓
Lo Low (pH 4.5-6) 2.53 -1.23 -98.16 3 4 2 53 293.37 6 ↓
Lo Low (pH 4.5-6) 2.53 -1.75 -110.09 3 4 2 53 293.37 6 ↓

Analogs

43396118
43396118

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Popular Name: N-[[2-(2,4-difluorophenoxy)-3-pyridyl]methyl]-1-(6-methyl-2-pyridyl)methanamine N-[[2-(2,4-difluorophenoxy)-3-py…

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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) 2.84 6.1 -12.51 1 4 0 47 341.361 6 ↓
Mid Mid (pH 6-8) 2.84 6.48 -31.42 2 4 1 48 342.369 6 ↓

Analogs

43396167
43396167
11667857
11667857

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Popular Name: 1-[2-(2-fluorophenoxy)-3-pyridyl]-N-(2-pyridylmethyl)methanamine 1-[2-(2-fluorophenoxy)-3-pyridyl…

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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) 2.65 5.42 -12.53 1 4 0 47 309.344 6 ↓
Lo Low (pH 4.5-6) 2.65 5.83 -33.38 2 4 1 48 310.352 6 ↓

Analogs

12430872
12430872

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Popular Name: 1-[2-(2,6-dimethylphenoxy)-3-pyridyl]-N-(2-pyridylmethyl)methanamine 1-[2-(2,6-dimethylphenoxy)-3-pyr…

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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) 3.33 6.58 -9.56 1 4 0 47 319.408 6 ↓

Analogs

43396462
43396462

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Popular Name: N-[[2-(3,4-difluorophenoxy)-3-pyridyl]methyl]-1-(2-pyridyl)methanamine N-[[2-(3,4-difluorophenoxy)-3-py…

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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) 2.79 5.55 -10.32 1 4 0 47 327.334 6 ↓
Lo Low (pH 4.5-6) 2.79 5.96 -37.01 2 4 1 48 328.342 6 ↓

Analogs

43396311
43396311

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Popular Name: 1-(2-pyridyl)-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridyl]methyl]methanamine 1-(2-pyridyl)-N-[[2-[3-(trifluor…

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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) 3.40 6.44 -10.98 1 4 0 47 359.351 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(2-methoxyphenoxy)-3-pyridyl]-N-(2-pyridylmethyl)methanamine 1-[2-(2-methoxyphenoxy)-3-pyridy…

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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) 2.34 5.22 -12.35 1 5 0 56 321.38 7 ↓

Parameters Provided:

ring.id = 50814
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 = 50814 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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