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

Analogs

12538937
12538937
12538941
12538941
12538944
12538944

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Popular Name: 2-thioxo-3-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]-1H-quinazolin-4-one 2-thioxo-3-[(1R,3R)-3-(trifluoro…

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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 8.87 -8.53 1 3 0 38 328.359 2 ↓

Analogs

12538941
12538941
12538944
12538944
12538934
12538934

Draw Identity 99% 90% 80% 70%

Popular Name: 2-thioxo-3-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]-1H-quinazolin-4-one 2-thioxo-3-[(1R,3S)-3-(trifluoro…

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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 9.44 -10.52 1 3 0 38 328.359 2 ↓

Analogs

12538944
12538944
12538934
12538934
12538937
12538937

Draw Identity 99% 90% 80% 70%

Popular Name: 2-thioxo-3-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]-1H-quinazolin-4-one 2-thioxo-3-[(1S,3R)-3-(trifluoro…

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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 9.44 -10.49 1 3 0 38 328.359 2 ↓

Analogs

12538934
12538934
12538937
12538937
12538941
12538941

Draw Identity 99% 90% 80% 70%

Popular Name: 2-thioxo-3-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]-1H-quinazolin-4-one 2-thioxo-3-[(1S,3S)-3-(trifluoro…

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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 8.87 -8.54 1 3 0 38 328.359 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(1S,2R,4R)-2,4-dimethylcyclohexyl]-2-sulfanyl-quinazolin-4-one 3-[(1S,2R,4R)-2,4-dimethylcycloh…

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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) 3.19 9.54 -7.32 1 3 0 38 288.416 1 ↓
Mid Mid (pH 6-8) 3.92 9.26 -37.53 0 3 -1 35 287.408 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(1S,2R,4S)-2,4-dimethylcyclohexyl]-2-sulfanyl-quinazolin-4-one 3-[(1S,2R,4S)-2,4-dimethylcycloh…

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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) 3.19 9.6 -8.83 1 3 0 38 288.416 1 ↓
Mid Mid (pH 6-8) 3.92 9.15 -40.66 0 3 -1 35 287.408 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(1R,2R,4R)-2,4-dimethylcyclohexyl]-2-sulfanyl-quinazolin-4-one 3-[(1R,2R,4R)-2,4-dimethylcycloh…

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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) 3.19 10.09 -9.56 1 3 0 38 288.416 1 ↓
Mid Mid (pH 6-8) 3.92 9.82 -40.5 0 3 -1 35 287.408 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(1R,2R,4S)-2,4-dimethylcyclohexyl]-2-sulfanyl-quinazolin-4-one 3-[(1R,2R,4S)-2,4-dimethylcycloh…

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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) 3.19 9.85 -9.36 1 3 0 38 288.416 1 ↓
Mid Mid (pH 6-8) 3.92 9.57 -40.52 0 3 -1 35 287.408 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(1S,3R)-3-methylcyclohexyl]-2-sulfanyl-quinazolin-4-one 3-[(1S,3R)-3-methylcyclohexyl]-2…

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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) 2.95 9.12 -9.94 1 3 0 38 274.389 1 ↓
Mid Mid (pH 6-8) 3.68 8.85 -41.03 0 3 -1 35 273.381 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(1S,3S)-3-methylcyclohexyl]-2-sulfanyl-quinazolin-4-one 3-[(1S,3S)-3-methylcyclohexyl]-2…

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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) 2.95 8.56 -7.7 1 3 0 38 274.389 1 ↓
Mid Mid (pH 6-8) 3.68 8.28 -38.06 0 3 -1 35 273.381 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(1R,3R)-3-methylcyclohexyl]-2-sulfanyl-quinazolin-4-one 3-[(1R,3R)-3-methylcyclohexyl]-2…

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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) 2.95 8.56 -7.7 1 3 0 38 274.389 1 ↓
Mid Mid (pH 6-8) 3.68 8.28 -38.06 0 3 -1 35 273.381 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(1R,3S)-3-methylcyclohexyl]-2-sulfanyl-quinazolin-4-one 3-[(1R,3S)-3-methylcyclohexyl]-2…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.95 9.12 -9.95 1 3 0 38 274.389 1 ↓
Mid Mid (pH 6-8) 3.68 8.85 -41.08 0 3 -1 35 273.381 1 ↓

Parameters Provided:

ring.id = 105868
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 = 105868 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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