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

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Popular Name: 2-(ethylthio)-4,6-bis(4-methoxyphenyl)nicotinonitrile 2-(ethylthio)-4,6-bis(4-methoxyp…

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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) 5.45 10.63 -10.26 0 4 0 55 376.481 6 ↓

Analogs

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Popular Name: 2-[2-[6-amino-5-cyano-4-(2,4-difluorophenyl)-2-pyridyl]phenoxy]acetamide 2-[2-[6-amino-5-cyano-4-(2,4-dif…

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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 6.9 -17.21 4 6 0 115 380.354 5 ↓

Analogs

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Popular Name: 2-[4-[6-amino-5-cyano-4-(3-hydroxyphenyl)-2-pyridyl]phenoxy]acetic 2-[4-[6-amino-5-cyano-4-(3-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) 2.64 6.88 -49.75 3 7 -1 132 360.349 5 ↓

Analogs

33781596
33781596

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Popular Name: 2-Mercapto-4-(2-methoxy-phenyl)-6-p-tolyl-nicotinonitrile 2-Mercapto-4-(2-methoxy-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) 5.21 10.68 -55.25 0 3 -1 46 331.42 3 ↓
Lo Low (pH 4.5-6) 5.21 10.91 -25.43 1 3 0 47 332.428 3 ↓

Analogs

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Popular Name: 2-methyl-6-(4-methylphenyl)-4-(3,4,5-trimethoxyphenyl)nicotinonitrile 2-methyl-6-(4-methylphenyl)-4-(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) 4.54 3.77 -11.07 0 5 0 64 374.44 5 ↓
Lo Low (pH 4.5-6) 4.54 3.86 -43.01 1 5 1 65 375.448 5 ↓

Analogs

1279073
1279073

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Popular Name: 2-[[3-cyano-4,6-bis(4-methoxyphenyl)-2-pyridyl]sulfanyl]acetamide 2-[[3-cyano-4,6-bis(4-methoxyphe…

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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) 3.80 -0.77 -16.58 2 6 0 98 405.479 7 ↓
Lo Low (pH 4.5-6) 3.80 -0.59 -48.16 3 6 1 99 406.487 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-6-(4-methoxyphenyl)-4-(4-methylsulfonylphenyl)pyridine-3-carbonitrile 2-amino-6-(4-methoxyphenyl)-4-(4…

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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) 2.77 5.73 -17.19 2 6 0 106 379.441 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-6-(3-fluoro-4-methoxy-phenyl)-4-(3-hydroxyphenyl)pyridine-3-carbonitrile 2-amino-6-(3-fluoro-4-methoxy-ph…

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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) 3.49 5.41 -11.59 3 5 0 92 335.338 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-(2-amino-3-cyano-5-methyl-6-phenyl-4-pyridyl)phenoxy]-N,N-dimethyl-acetamide 2-[2-(2-amino-3-cyano-5-methyl-6…

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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) 3.14 10.19 -18.05 2 6 0 92 386.455 5 ↓

Analogs

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Popular Name: 4-[2-amino-3-cyano-6-(o-tolyl)-4-pyridyl]-N-methyl-benzenesulfonamide 4-[2-amino-3-cyano-6-(o-tolyl)-4…

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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) 3.31 5.84 -13.23 3 6 0 109 378.457 4 ↓

Analogs

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Popular Name: 2-[3-[2-amino-3-cyano-6-(4-methoxyphenyl)-4-pyridyl]phenoxy]acetamide 2-[3-[2-amino-3-cyano-6-(4-metho…

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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) 2.66 5.6 -20.87 4 7 0 124 374.4 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-4-phenyl-6-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile 2-amino-4-phenyl-6-(2,3,4-trimet…

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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) 3.67 8.78 -11.83 2 6 0 90 361.401 5 ↓

Analogs

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Popular Name: 2-amino-4-[2-(2-hydroxyethoxy)phenyl]-6-(3-methoxyphenyl)pyridine-3-carbonitrile 2-amino-4-[2-(2-hydroxyethoxy)ph…

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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) 3.25 5.48 -12.64 3 6 0 101 361.401 6 ↓

Analogs

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Popular Name: 2-amino-6-(4-fluorophenyl)-4-(3-hydroxyphenyl)pyridine-3-carbonitrile 2-amino-6-(4-fluorophenyl)-4-(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) 3.50 6.1 -9.19 3 4 0 83 305.312 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-4-(4-hydroxyphenyl)-6-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile 2-amino-4-(4-hydroxyphenyl)-6-(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) 2.99 5.2 -13.11 3 7 0 111 377.4 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-4-(5-hydroxy-2-methoxy-phenyl)-6-(3-methoxyphenyl)pyridine-3-carbonitrile 2-amino-4-(5-hydroxy-2-methoxy-p…

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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) 3.38 4.8 -10.9 3 6 0 101 347.374 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[2-amino-3-cyano-6-(3-methoxyphenyl)-4-pyridyl]phenoxy]acetamide 2-[4-[2-amino-3-cyano-6-(3-metho…

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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) 2.66 5.6 -17.28 4 7 0 124 374.4 6 ↓

Parameters Provided:

ring.id = 1157
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 = 1157 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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