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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: [(1S)-1-methyl-2-oxo-2-[4-[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]piperazin-1-yl]ethyl] [(1S)-1-methyl-2-oxo-2-[4-[4-[3-…

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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) 3.16 11.15 -16.84 0 7 0 76 422.407 6 ↓

Analogs

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Popular Name: (2R)-2-ethyl-1-[4-[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]piperazin-1-yl]hexan-1-one (2R)-2-ethyl-1-[4-[4-[3-(trifluo…

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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) 5.92 13.13 -13.15 0 5 0 49 434.506 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-ethyl-1-[4-[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]piperazin-1-yl]hexan-1-one (2S)-2-ethyl-1-[4-[4-[3-(trifluo…

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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) 5.92 12.89 -13.35 0 5 0 49 434.506 8 ↓

Analogs

23308492
23308492

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Popular Name: 3-methyl-1-[4-[4-(3,4,5-trimethoxyphenyl)pyrimidin-2-yl]piperazin-1-yl]butan-1-one 3-methyl-1-[4-[4-(3,4,5-trimetho…

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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) 3.14 9.29 -15.8 0 8 0 77 414.506 7 ↓

Analogs

23308492
23308492
23318571
23318571

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Popular Name: 2,2-dimethyl-1-[4-[4-(3,4,5-trimethoxyphenyl)pyrimidin-2-yl]piperazin-1-yl]propan-1-one 2,2-dimethyl-1-[4-[4-(3,4,5-trim…

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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 8.56 -16.11 0 8 0 77 414.506 6 ↓

Analogs

23308492
23308492

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Popular Name: 1-[4-[4-(3,4,5-trimethoxyphenyl)pyrimidin-2-yl]piperazin-1-yl]hexan-1-one 1-[4-[4-(3,4,5-trimethoxyphenyl)…

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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) 3.94 10.25 -16.37 0 8 0 77 428.533 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [1,1-dimethyl-2-oxo-2-[4-[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]piperazin-1-yl]ethyl] [1,1-dimethyl-2-oxo-2-[4-[4-[3-(…

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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 10.91 -13.86 0 7 0 76 436.434 6 ↓

Analogs

23308492
23308492

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Popular Name: 3,3-dimethyl-1-[4-[4-(3,4,5-trimethoxyphenyl)pyrimidin-2-yl]piperazin-1-yl]butan-1-one 3,3-dimethyl-1-[4-[4-(3,4,5-trim…

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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) 3.46 9.81 -14.94 0 8 0 77 428.533 7 ↓

Analogs

23308492
23308492

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Popular Name: 2-ethyl-1-[4-[4-(3,4,5-trimethoxyphenyl)pyrimidin-2-yl]piperazin-1-yl]butan-1-one 2-ethyl-1-[4-[4-(3,4,5-trimethox…

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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) 3.62 9.5 -15.89 0 8 0 77 428.533 8 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 1.73 8.18 -14.03 0 10 0 103 430.461 8 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 1.69 9.78 -23.63 0 10 0 103 444.488 9 ↓

Analogs

32108231
32108231
32128301
32128301
32158973
32158973
32158975
32158975
32160473
32160473

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Popular Name: 6-(4-methoxyphenyl)-2-piperazin-1-yl-pyrimidine-4-carbonitrile 6-(4-methoxyphenyl)-2-piperazin-…

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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) 2.21 7.95 -48.04 2 6 1 79 296.354 3 ↓
Hi High (pH 8-9.5) 2.21 6.67 -7.36 1 6 0 74 295.346 3 ↓

Parameters Provided:

ring.id = 97138
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 = 97138 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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