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

Analogs

2799402
2799402

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Popular Name: (4R)-4-(2-bromo-5-ethoxy-4-propargyloxy-phenyl)-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carbox (4R)-4-(2-bromo-5-ethoxy-4-propa…

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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) 4.67 -0.52 -12.62 1 2 0 68 515.429 6 ↓

Analogs

2799401
2799401

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Popular Name: (4S)-4-(2-bromo-5-ethoxy-4-propargyloxy-phenyl)-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carbox (4S)-4-(2-bromo-5-ethoxy-4-propa…

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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) 4.67 -0.56 -13.02 1 2 0 68 515.429 6 ↓

Analogs

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Popular Name: (4R)-4-(4-hydroxyphenyl)-6-phenyl-3,4-dihydro-1H-pyrimidine-2-thione (4R)-4-(4-hydroxyphenyl)-6-pheny…

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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) 3.10 6.74 -13.54 3 3 0 44 282.368 2 ↓

Analogs

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Popular Name: (4S)-4-(4-hydroxyphenyl)-6-phenyl-3,4-dihydro-1H-pyrimidine-2-thione (4S)-4-(4-hydroxyphenyl)-6-pheny…

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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) 3.10 6.81 -13.99 3 3 0 44 282.368 2 ↓

Analogs

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Popular Name: (4R)-4-(3,4-dimethoxyphenyl)-6-phenyl-3,4-dihydro-1H-pyrimidine-2-thione (4R)-4-(3,4-dimethoxyphenyl)-6-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) 3.22 8.84 -14.84 2 4 0 43 326.421 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-(3,4-dimethoxyphenyl)-6-phenyl-3,4-dihydro-1H-pyrimidine-2-thione (4S)-4-(3,4-dimethoxyphenyl)-6-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) 3.22 8.8 -14.85 2 4 0 43 326.421 4 ↓

Analogs

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Popular Name: (4R)-4-(2-fluorophenyl)-6-phenyl-3,4-dihydro-1H-pyrimidine-2-thione (4R)-4-(2-fluorophenyl)-6-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) 3.69 9.78 -9.55 2 2 0 24 284.359 2 ↓

Analogs

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Popular Name: (4S)-4-(2-fluorophenyl)-6-phenyl-3,4-dihydro-1H-pyrimidine-2-thione (4S)-4-(2-fluorophenyl)-6-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) 3.69 9.81 -9.51 2 2 0 24 284.359 2 ↓

Analogs

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Popular Name: (4R)-4-(4-isopropoxyphenyl)-6-phenyl-3,4-dihydro-1H-pyrimidine-2-thione (4R)-4-(4-isopropoxyphenyl)-6-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) 4.37 10.44 -13.46 2 3 0 33 324.449 4 ↓

Analogs

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Popular Name: (4S)-4-(4-isopropoxyphenyl)-6-phenyl-3,4-dihydro-1H-pyrimidine-2-thione (4S)-4-(4-isopropoxyphenyl)-6-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) 4.37 10.51 -13.61 2 3 0 33 324.449 4 ↓

Analogs

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Popular Name: (2S)-2-[4-[(4R)-5-acetyl-6-(4-fluorophenyl)-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl]phenoxy]propaneni (2S)-2-[4-[(4R)-5-acetyl-6-(4-fl…

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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) 3.43 10.52 -21.46 2 5 0 74 395.459 5 ↓
Hi High (pH 8-9.5) 4.35 8.99 -43.51 1 5 -1 80 394.451 4 ↓

Analogs

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Popular Name: (2R)-2-[4-[(4R)-5-acetyl-6-(4-fluorophenyl)-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl]phenoxy]propaneni (2R)-2-[4-[(4R)-5-acetyl-6-(4-fl…

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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) 3.43 10.49 -18.55 2 5 0 74 395.459 5 ↓
Hi High (pH 8-9.5) 4.35 9.03 -39.01 1 5 -1 80 394.451 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[4-[(4S)-5-acetyl-6-(4-fluorophenyl)-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl]phenoxy]propaneni (2S)-2-[4-[(4S)-5-acetyl-6-(4-fl…

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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) 3.43 10.52 -21.74 2 5 0 74 395.459 5 ↓
Hi High (pH 8-9.5) 4.35 8.97 -43.72 1 5 -1 80 394.451 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[4-[(4S)-5-acetyl-6-(4-fluorophenyl)-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl]phenoxy]propaneni (2R)-2-[4-[(4S)-5-acetyl-6-(4-fl…

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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) 3.43 10.5 -18.69 2 5 0 74 395.459 5 ↓
Hi High (pH 8-9.5) 4.35 8.99 -38.99 1 5 -1 80 394.451 4 ↓

Analogs

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Popular Name: 1-[(4R)-4-(3-fluoro-4-methyl-phenyl)-6-(4-fluorophenyl)-2-thioxo-3,4-dihydro-1H-pyrimidin-5-yl]ethan 1-[(4R)-4-(3-fluoro-4-methyl-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) 3.76 10.56 -17.74 2 3 0 41 358.413 3 ↓
Hi High (pH 8-9.5) 4.68 9.01 -34.89 1 3 -1 47 357.405 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(4S)-4-(3-fluoro-4-methyl-phenyl)-6-(4-fluorophenyl)-2-thioxo-3,4-dihydro-1H-pyrimidin-5-yl]ethan 1-[(4S)-4-(3-fluoro-4-methyl-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) 3.76 10.67 -17.79 2 3 0 41 358.413 3 ↓
Hi High (pH 8-9.5) 4.68 9.13 -35.25 1 3 -1 47 357.405 2 ↓

Parameters Provided:

ring.id = 241156
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 = 241156 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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