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

43458595
43458595

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Popular Name: 4-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic 4-[(2-chloro-6-fluoro-phenyl)met…

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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 5.9 -46.38 1 5 -1 86 327.744 4 ↓
Hi High (pH 8-9.5) 3.12 4.2 -118.63 0 5 -2 89 326.736 4 ↓

Analogs

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Popular Name: 4-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic 4-[(4-methoxyphenyl)methylsulfan…

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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) 1.97 4.74 -43.4 1 6 -1 95 305.335 5 ↓
Hi High (pH 8-9.5) 2.43 3.04 -112.66 0 6 -2 98 304.327 5 ↓

Analogs

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Popular Name: 4-[(3-methoxyphenyl)methylsulfanyl]-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic 4-[(3-methoxyphenyl)methylsulfan…

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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) 1.95 4.74 -44.71 1 6 -1 95 305.335 5 ↓
Hi High (pH 8-9.5) 2.40 3.04 -115.13 0 6 -2 98 304.327 5 ↓

Analogs

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Popular Name: 4-[(2,4-dichlorophenyl)methylsulfanyl]-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic 4-[(2,4-dichlorophenyl)methylsul…

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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) 3.20 6.38 -41.54 1 5 -1 86 344.199 4 ↓
Hi High (pH 8-9.5) 3.65 4.68 -110.34 0 5 -2 89 343.191 4 ↓

Analogs

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Popular Name: 4-[(4-chlorophenyl)methylsulfanyl]-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic 4-[(4-chlorophenyl)methylsulfany…

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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) 2.59 5.96 -40.87 1 5 -1 86 309.754 4 ↓
Hi High (pH 8-9.5) 3.05 4.26 -109.11 0 5 -2 89 308.746 4 ↓

Analogs

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Popular Name: 4-[(3-bromo-4-fluoro-phenyl)methylsulfanyl]-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic 4-[(3-bromo-4-fluoro-phenyl)meth…

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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) 2.81 6.09 -40.76 1 5 -1 86 372.195 4 ↓
Hi High (pH 8-9.5) 3.27 4.39 -107.66 0 5 -2 89 371.187 4 ↓

Analogs

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Popular Name: 6-methyl-2-oxo-4-(p-tolylmethylsulfanyl)-1H-pyrimidine-5-carboxylic 6-methyl-2-oxo-4-(p-tolylmethyls…

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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) 2.36 6.1 -43.04 1 5 -1 86 289.336 4 ↓
Hi High (pH 8-9.5) 2.82 4.41 -113.53 0 5 -2 89 288.328 4 ↓

Analogs

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Popular Name: 4-[(2-methoxyphenyl)methylsulfanyl]-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic 4-[(2-methoxyphenyl)methylsulfan…

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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) 1.92 4.81 -46.65 1 6 -1 95 305.335 5 ↓
Hi High (pH 8-9.5) 2.38 3.11 -119.04 0 6 -2 98 304.327 5 ↓

Analogs

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Popular Name: methyl 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) 3.00 6.83 -11.69 1 5 0 72 318.398 5 ↓
Mid Mid (pH 6-8) 3.45 4.98 -49.46 0 5 -1 75 317.39 5 ↓

Analogs

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Popular Name: methyl 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) 2.94 6.13 -12.08 1 5 0 72 342.779 5 ↓
Mid Mid (pH 6-8) 3.40 4.29 -47.72 0 5 -1 75 341.771 5 ↓

Analogs

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Popular Name: methyl 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) 2.57 6.16 -11.69 1 5 0 72 304.371 5 ↓
Mid Mid (pH 6-8) 3.03 4.31 -49.35 0 5 -1 75 303.363 5 ↓

Analogs

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Popular Name: methyl 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) 2.93 6.15 -12.6 1 5 0 72 369.24 5 ↓
Mid Mid (pH 6-8) 3.39 4.31 -50.77 0 5 -1 75 368.232 5 ↓

Analogs

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Popular Name: methyl 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) 2.96 6.25 -11.76 1 5 0 72 369.24 5 ↓
Mid Mid (pH 6-8) 3.41 4.4 -47.94 0 5 -1 75 368.232 5 ↓

Analogs

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Popular Name: 4-[(2,5-dimethylphenyl)methylsulfanyl]-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic 4-[(2,5-dimethylphenyl)methylsul…

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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) 2.74 6.63 -43.32 1 5 -1 86 303.363 4 ↓
Hi High (pH 8-9.5) 3.20 4.94 -114.62 0 5 -2 89 302.355 4 ↓

Parameters Provided:

ring.id = 124236
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 = 124236 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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