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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-[(3,4-difluorophenyl)sulfanylmethyl]pyrido[2,1-b]pyrimidin-4-one 2-[(3,4-difluorophenyl)sulfanylm…

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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) 3.57 9.31 -14.7 0 3 0 34 304.321 3 ↓

Analogs

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Popular Name: 2-(p-tolylsulfanylmethyl)pyrido[2,1-b]pyrimidin-4-one 2-(p-tolylsulfanylmethyl)pyrido[…

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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) 3.77 9.86 -13.66 0 3 0 34 282.368 3 ↓

Analogs

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Popular Name: 2-[(4-aminophenyl)sulfanylmethyl]-7-methyl-pyrido[1,2-a]pyrimidin-4-one 2-[(4-aminophenyl)sulfanylmethyl…

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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) 2.80 7.71 -13.61 2 4 0 60 297.383 3 ↓

Analogs

37995791
37995791

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Popular Name: 2-[(4-aminophenyl)sulfanylmethyl]-7-chloro-pyrido[1,2-a]pyrimidin-4-one 2-[(4-aminophenyl)sulfanylmethyl…

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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) 3.03 7.57 -11.19 2 4 0 60 317.801 3 ↓

Analogs

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Popular Name: 2-[(4-aminophenyl)sulfanylmethyl]-8-methyl-pyrido[1,2-a]pyrimidin-4-one 2-[(4-aminophenyl)sulfanylmethyl…

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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) 2.80 7.73 -13.16 2 4 0 60 297.383 3 ↓

Analogs

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Popular Name: 2-[(4-aminophenyl)sulfanylmethyl]-9-methyl-pyrido[1,2-a]pyrimidin-4-one 2-[(4-aminophenyl)sulfanylmethyl…

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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) 2.80 7.93 -13.93 2 4 0 60 297.383 3 ↓

Analogs

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Popular Name: 2-[(4-aminophenyl)sulfanylmethyl]-7-bromo-pyrido[1,2-a]pyrimidin-4-one 2-[(4-aminophenyl)sulfanylmethyl…

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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) 3.16 7.67 -10.76 2 4 0 60 362.252 3 ↓

Analogs

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Popular Name: 2-[(2-amino-4-methyl-phenyl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one 2-[(2-amino-4-methyl-phenyl)sulf…

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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) 3.18 7.8 -13.93 2 4 0 60 297.383 3 ↓

Analogs

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Popular Name: 2-[(4-amino-2-methyl-phenyl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one 2-[(4-amino-2-methyl-phenyl)sulf…

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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 7.62 -14.42 2 4 0 60 297.383 3 ↓

Analogs

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Popular Name: 2-[(4-amino-2-fluoro-phenyl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one 2-[(4-amino-2-fluoro-phenyl)sulf…

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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) 2.49 7.1 -16.39 2 4 0 60 301.346 3 ↓

Analogs

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Popular Name: 2-[(2-amino-4-fluoro-phenyl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one 2-[(2-amino-4-fluoro-phenyl)sulf…

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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) 2.89 7.2 -13.81 2 4 0 60 301.346 3 ↓

Analogs

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Popular Name: 2-[(2-amino-6-chloro-phenyl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one 2-[(2-amino-6-chloro-phenyl)sulf…

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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 7.7 -15.06 2 4 0 60 317.801 3 ↓

Analogs

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Popular Name: 2-[(4-amino-2-chloro-phenyl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one 2-[(4-amino-2-chloro-phenyl)sulf…

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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) 3.00 7.51 -15.35 2 4 0 60 317.801 3 ↓

Analogs

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Popular Name: 2-[(2-amino-4-bromo-phenyl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one 2-[(2-amino-4-bromo-phenyl)sulfa…

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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) 3.54 7.76 -13.32 2 4 0 60 362.252 3 ↓

Analogs

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Popular Name: 2-(m-tolylsulfanylmethyl)pyrido[1,2-a]pyrimidin-4-one 2-(m-tolylsulfanylmethyl)pyrido[…

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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) 3.74 9.85 -13.79 0 3 0 34 282.368 3 ↓

Analogs

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Popular Name: 2-[(4-nitrophenyl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one 2-[(4-nitrophenyl)sulfanylmethyl…

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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) 3.28 9.9 -16.23 0 6 0 80 313.338 4 ↓
Lo Low (pH 4.5-6) 3.28 10.31 -46.11 1 6 1 81 314.346 4 ↓

Parameters Provided:

ring.id = 44640
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 = 44640 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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