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

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Popular Name: 4-[[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]amino]-1,3-dimethyl-2,6-dioxo-pyrimidine-5-carbon 4-[[(2R)-2-(dimethylamino)-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) 0.90 8.21 -56.64 2 7 1 84 346.386 5 ↓
Mid Mid (pH 6-8) 0.90 5.66 -15.48 1 7 0 83 345.378 5 ↓

Analogs

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Popular Name: 4-[[(2S)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]amino]-1,3-dimethyl-2,6-dioxo-pyrimidine-5-carbon 4-[[(2S)-2-(dimethylamino)-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) 0.90 8.22 -56.42 2 7 1 84 346.386 5 ↓
Mid Mid (pH 6-8) 0.90 6.14 -15.9 1 7 0 83 345.378 5 ↓

Analogs

42099207
42099207

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Popular Name: 4-[[(2R)-2-(2,4-difluorophenyl)-2-hydroxy-ethyl]amino]-1,3-dimethyl-2,6-dioxo-pyrimidine-5-carbonitr 4-[[(2R)-2-(2,4-difluorophenyl)-…

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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) 0.19 4.08 -16.88 2 7 0 100 336.298 4 ↓

Analogs

42099205
42099205

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Popular Name: 4-[[(2S)-2-(2,4-difluorophenyl)-2-hydroxy-ethyl]amino]-1,3-dimethyl-2,6-dioxo-pyrimidine-5-carbonitr 4-[[(2S)-2-(2,4-difluorophenyl)-…

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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) 0.19 4.02 -16.37 2 7 0 100 336.298 4 ↓

Analogs

42100323
42100323

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Popular Name: 4-[[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]-1,3-dimethyl-2,6-dioxo-pyrimidine-5-carbonitrile 4-[[(2R)-2-hydroxy-2-(4-methoxyp…

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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) -0.01 3.24 -17.43 2 8 0 109 330.344 5 ↓

Analogs

42100322
42100322

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Popular Name: 4-[[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]-1,3-dimethyl-2,6-dioxo-pyrimidine-5-carbonitrile 4-[[(2S)-2-hydroxy-2-(4-methoxyp…

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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) -0.01 3.16 -17.4 2 8 0 109 330.344 5 ↓

Analogs

42109767
42109767

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Popular Name: 4-[[(2R)-2-hydroxy-2-(2-methoxyphenyl)ethyl]amino]-1,3-dimethyl-2,6-dioxo-pyrimidine-5-carbonitrile 4-[[(2R)-2-hydroxy-2-(2-methoxyp…

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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) -0.06 3.34 -15.64 2 8 0 109 330.344 5 ↓

Analogs

42109765
42109765

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Popular Name: 4-[[(2S)-2-hydroxy-2-(2-methoxyphenyl)ethyl]amino]-1,3-dimethyl-2,6-dioxo-pyrimidine-5-carbonitrile 4-[[(2S)-2-hydroxy-2-(2-methoxyp…

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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) -0.06 3.29 -15.42 2 8 0 109 330.344 5 ↓

Analogs

42110018
42110018

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Popular Name: 4-[[(2S)-2-hydroxy-2-(p-tolyl)ethyl]amino]-1,3-dimethyl-2,6-dioxo-pyrimidine-5-carbonitrile 4-[[(2S)-2-hydroxy-2-(p-tolyl)et…

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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) 0.38 4.61 -15.22 2 7 0 100 314.345 4 ↓

Analogs

42110015
42110015

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Popular Name: 4-[[(2R)-2-hydroxy-2-(p-tolyl)ethyl]amino]-1,3-dimethyl-2,6-dioxo-pyrimidine-5-carbonitrile 4-[[(2R)-2-hydroxy-2-(p-tolyl)et…

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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) 0.38 4.67 -15.26 2 7 0 100 314.345 4 ↓

Parameters Provided:

ring.id = 85981
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 = 85981 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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