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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-methoxyphenyl)-4-phenyl-1H-pyrimidin-6-one 2-(2-methoxyphenyl)-4-phenyl-1H-…

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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) 3.48 7.84 -11.95 1 4 0 55 278.311 3 ↓
Hi High (pH 8-9.5) 3.93 6.13 -58.63 0 4 -1 58 277.303 3 ↓

Analogs

45957091
45957091

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Popular Name: 2-(4-Methoxy-phenyl)-6-phenyl-pyrimidin-4-ol 2-(4-Methoxy-phenyl)-6-phenyl-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) 3.52 7.36 -10.35 1 4 0 55 278.311 3 ↓
Hi High (pH 8-9.5) 3.98 5.49 -52.24 0 4 -1 58 277.303 3 ↓

Analogs

36755024
36755024
36755131
36755131
16124821
16124821

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Popular Name: 2-(3-Fluoro-phenyl)-6-phenyl-pyrimidin-4-ol 2-(3-Fluoro-phenyl)-6-phenyl-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) 3.61 8.12 -10.21 1 3 0 46 266.275 2 ↓
Hi High (pH 8-9.5) 4.06 6.26 -53.24 0 3 -1 49 265.267 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-methoxyphenyl)-4-phenyl-1H-pyrimidin-6-one 2-(3-methoxyphenyl)-4-phenyl-1H-…

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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 7.35 -10.79 1 4 0 55 278.311 3 ↓
Hi High (pH 8-9.5) 3.96 5.49 -56.88 0 4 -1 58 277.303 3 ↓

Analogs

16124821
16124821

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Popular Name: 2-(3-Chloro-phenyl)-6-phenyl-pyrimidin-4-ol 2-(3-Chloro-phenyl)-6-phenyl-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) 4.12 8.56 -9.73 1 3 0 46 282.73 2 ↓
Hi High (pH 8-9.5) 4.58 6.71 -52.35 0 3 -1 49 281.722 2 ↓

Analogs

16492728
16492728

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Popular Name: 2-(3-bromophenyl)-4-phenyl-1H-pyrimidin-6-one 2-(3-bromophenyl)-4-phenyl-1H-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) 4.25 8.67 -9.75 1 3 0 46 327.181 2 ↓
Hi High (pH 8-9.5) 4.71 6.81 -52.2 0 3 -1 49 326.173 2 ↓

Analogs

43387581
43387581
43388893
43388893
43392972
43392972
16124821
16124821

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-Chloro-phenyl)-6-phenyl-pyrimidin-4-ol 2-(4-Chloro-phenyl)-6-phenyl-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) 4.14 8.57 -9 1 3 0 46 282.73 2 ↓
Hi High (pH 8-9.5) 4.60 6.7 -48.84 0 3 -1 49 281.722 2 ↓

Analogs

16124821
16124821

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-Fluoro-phenyl)-6-phenyl-pyrimidin-4-ol 2-(4-Fluoro-phenyl)-6-phenyl-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) 3.63 8.12 -9.39 1 3 0 46 266.275 2 ↓
Hi High (pH 8-9.5) 4.09 6.25 -48.68 0 3 -1 49 265.267 2 ↓

Analogs

43392972
43392972
16124821
16124821

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Popular Name: 2-(m-tolyl)-4-phenyl-1H-pyrimidin-6-one 2-(m-tolyl)-4-phenyl-1H-pyrimidi…

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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) 3.89 8.72 -9.49 1 3 0 46 262.312 2 ↓
Hi High (pH 8-9.5) 4.35 6.87 -54.41 0 3 -1 49 261.304 2 ↓

Analogs

43387581
43387581
43392972
43392972
16124821
16124821

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Popular Name: 6-Phenyl-2-p-tolyl-pyrimidin-4-ol 6-Phenyl-2-p-tolyl-pyrimidin-4-ol

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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) 3.92 8.73 -9.38 1 3 0 46 262.312 2 ↓
Hi High (pH 8-9.5) 4.37 6.88 -53.8 0 3 -1 49 261.304 2 ↓

Analogs

16124821
16124821

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(o-tolyl)-4-phenyl-1H-pyrimidin-6-one 2-(o-tolyl)-4-phenyl-1H-pyrimidi…

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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) 3.87 9.1 -9.36 1 3 0 46 262.312 2 ↓
Hi High (pH 8-9.5) 4.32 6.59 -53.71 0 3 -1 49 261.304 2 ↓

Analogs

36755024
36755024
36755131
36755131
16124821
16124821

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-fluoro-4-methyl-phenyl)-4-phenyl-1H-pyrimidin-6-one 2-(3-fluoro-4-methyl-phenyl)-4-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) 4.01 8.76 -9.6 1 3 0 46 280.302 2 ↓
Hi High (pH 8-9.5) 4.46 6.9 -49.83 0 3 -1 49 279.294 2 ↓

Analogs

43808014
43808014
16124821
16124821

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Popular Name: 2-(2,6-dichlorophenyl)-4-phenyl-1H-pyrimidin-6-one 2-(2,6-dichlorophenyl)-4-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) 4.73 8.17 -10.82 1 3 0 46 317.175 2 ↓
Hi High (pH 8-9.5) 5.18 8.2 -54.06 0 3 -1 49 316.167 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-hydroxyphenyl)-4-phenyl-1H-pyrimidin-6-one 2-(3-hydroxyphenyl)-4-phenyl-1H-…

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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 5.2 -11.17 2 4 0 66 264.284 2 ↓
Hi High (pH 8-9.5) 3.42 3.34 -55.15 1 4 -1 69 263.276 2 ↓

Analogs

16124821
16124821

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-chlorophenyl)-4-phenyl-1H-pyrimidin-6-one 2-(2-chlorophenyl)-4-phenyl-1H-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) 4.10 8.8 -10.89 1 3 0 46 282.73 2 ↓
Hi High (pH 8-9.5) 4.55 7.44 -54.55 0 3 -1 49 281.722 2 ↓

Analogs

43808014
43808014
16124821
16124821

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3,4-dichlorophenyl)-4-phenyl-1H-pyrimidin-6-one 2-(3,4-dichlorophenyl)-4-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) 4.75 9.02 -9.44 1 3 0 46 317.175 2 ↓
Hi High (pH 8-9.5) 5.21 7.16 -48.14 0 3 -1 49 316.167 2 ↓

Analogs

43808014
43808014
16124821
16124821

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2,3-dichlorophenyl)-4-phenyl-1H-pyrimidin-6-one 2-(2,3-dichlorophenyl)-4-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) 4.73 9.26 -11.4 1 3 0 46 317.175 2 ↓
Hi High (pH 8-9.5) 5.18 7.9 -53.2 0 3 -1 49 316.167 2 ↓

Analogs

16124821
16124821

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Popular Name: 2-(4-methylsulfanylphenyl)-4-phenyl-1H-pyrimidin-6-one 2-(4-methylsulfanylphenyl)-4-phe…

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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) 3.90 9.07 -9.85 1 3 0 46 294.379 3 ↓
Hi High (pH 8-9.5) 4.36 7.2 -51.41 0 3 -1 49 293.371 3 ↓

Analogs

43808014
43808014
16124821
16124821

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2,4-dichlorophenyl)-4-phenyl-1H-pyrimidin-6-one 2-(2,4-dichlorophenyl)-4-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) 4.75 9.31 -9.48 1 3 0 46 317.175 2 ↓
Hi High (pH 8-9.5) 5.21 7.95 -49.19 0 3 -1 49 316.167 2 ↓

Analogs

16124821
16124821

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Popular Name: 2-(2,4-dimethylphenyl)-4-phenyl-1H-pyrimidin-6-one 2-(2,4-dimethylphenyl)-4-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) 4.29 9.78 -9.1 1 3 0 46 276.339 2 ↓
Hi High (pH 8-9.5) 4.75 7.25 -53.58 0 3 -1 49 275.331 2 ↓

Analogs

16492728
16492728

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-bromophenyl)-4-phenyl-1H-pyrimidin-6-one 2-(2-bromophenyl)-4-phenyl-1H-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) 4.23 8.9 -10.83 1 3 0 46 327.181 2 ↓
Hi High (pH 8-9.5) 4.68 7.72 -53.26 0 3 -1 49 326.173 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(4-chlorophenyl)-2-[3-[(2-hydroxyethyl-methyl-amino)methyl]phenyl]-3H-pyrimidin-4-one 6-(4-chlorophenyl)-2-[3-[(2-hydr…

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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) 3.29 8.05 -48.19 3 5 1 70 370.86 6 ↓
Mid Mid (pH 6-8) 3.75 7.16 -67.03 2 5 0 74 369.852 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-chloro-4-fluoro-phenyl)-4-phenyl-1H-pyrimidin-6-one 2-(3-chloro-4-fluoro-phenyl)-4-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) 4.24 8.61 -9.93 1 3 0 46 300.72 2 ↓
Hi High (pH 8-9.5) 4.69 6.75 -48.08 0 3 -1 49 299.712 2 ↓

Parameters Provided:

ring.id = 110781
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 = 110781 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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