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

Analogs

21634884
21634884
21634891
21634891
5787865
5787865

Draw Identity 99% 90% 80% 70%

Popular Name: [(4S)-4-[4-(difluoromethoxy)-3-methoxy-phenyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidin-5-yl]-morp [(4S)-4-[4-(difluoromethoxy)-3-m…

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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) 2.07 5.55 -19.2 2 7 0 72 413.446 5 ↓
Hi High (pH 8-9.5) 2.12 4.5 -46.39 1 7 -1 72 412.438 5 ↓

Analogs

21634884
21634884
21634891
21634891
5787865
5787865

Draw Identity 99% 90% 80% 70%

Popular Name: [(4R)-4-[4-(difluoromethoxy)-3-methoxy-phenyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidin-5-yl]-morp [(4R)-4-[4-(difluoromethoxy)-3-m…

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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) 2.07 5.44 -18.84 2 7 0 72 413.446 5 ↓
Hi High (pH 8-9.5) 2.12 4.31 -43.81 1 7 -1 72 412.438 5 ↓

Analogs

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Popular Name: 3-[(6S)-3,4-dimethyl-5-(morpholine-4-carbonyl)-2-thioxo-1,6-dihydropyrimidin-6-yl]benzonitrile 3-[(6S)-3,4-dimethyl-5-(morpholi…

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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) 1.85 7.56 -15.53 1 6 0 69 356.451 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(6R)-3,4-dimethyl-5-(morpholine-4-carbonyl)-2-thioxo-1,6-dihydropyrimidin-6-yl]benzonitrile 3-[(6R)-3,4-dimethyl-5-(morpholi…

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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) 1.85 7.56 -15.69 1 6 0 69 356.451 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(6R)-4-methyl-2-sulfanyl-6-(2,4,6-trimethylphenyl)-1,6-dihydropyrimidin-5-yl]-morpholino-methanone [(6R)-4-methyl-2-sulfanyl-6-(2,4…

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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) 3.07 6.99 -13.51 2 5 0 54 359.495 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(6S)-4-methyl-2-sulfanyl-6-(2,4,6-trimethylphenyl)-1,6-dihydropyrimidin-5-yl]-morpholino-methanone [(6S)-4-methyl-2-sulfanyl-6-(2,4…

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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) 3.07 7.54 -13.16 2 5 0 54 359.495 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(4R)-4-(2,5-dimethylphenyl)-6-methyl-2-sulfanyl-3,4-dihydropyrimidin-5-yl]-morpholino-methanone [(4R)-4-(2,5-dimethylphenyl)-6-m…

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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) 2.70 6.89 -13.49 2 5 0 54 345.468 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(4S)-4-(2,5-dimethylphenyl)-6-methyl-2-sulfanyl-3,4-dihydropyrimidin-5-yl]-morpholino-methanone [(4S)-4-(2,5-dimethylphenyl)-6-m…

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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) 2.70 7.47 -13.04 2 5 0 54 345.468 2 ↓

Parameters Provided:

ring.id = 136829
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 = 136829 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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