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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: 5,6,7-trimethyl-1-[[(3S)-3-methyl-1-piperidyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-thione 5,6,7-trimethyl-1-[[(3S)-3-methy…

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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) 2.10 12.15 -56.13 1 5 1 40 306.459 2 ↓
Hi High (pH 8-9.5) 2.10 10.47 -25.12 0 5 0 38 305.451 2 ↓

Analogs

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Popular Name: 5,6,7-trimethyl-1-[[(3R)-3-methyl-1-piperidyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-thione 5,6,7-trimethyl-1-[[(3R)-3-methy…

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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) 2.10 12.15 -56.14 1 5 1 40 306.459 2 ↓
Hi High (pH 8-9.5) 2.10 10.4 -25.15 0 5 0 38 305.451 2 ↓

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) 1.96 13.17 -64.94 1 7 1 66 364.495 5 ↓
Mid Mid (pH 6-8) 1.96 11.33 -30.24 0 7 0 65 363.487 5 ↓

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) 1.96 13.1 -58.42 1 7 1 66 364.495 5 ↓
Mid Mid (pH 6-8) 1.96 11.29 -25.67 0 7 0 65 363.487 5 ↓

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) 1.96 13.07 -59.52 1 7 1 66 364.495 5 ↓
Mid Mid (pH 6-8) 1.96 10.95 -25.8 0 7 0 65 363.487 5 ↓

Analogs

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Popular Name: 5,6,7-trimethyl-1-[(4-methyl-1-piperidyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-thione 5,6,7-trimethyl-1-[(4-methyl-1-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) 2.10 12.17 -57.34 1 5 1 40 306.459 2 ↓
Hi High (pH 8-9.5) 2.10 10.41 -25.54 0 5 0 38 305.451 2 ↓

Analogs

42095392
42095392

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Popular Name: 1-[[(3R)-3-ethyl-1-piperidyl]methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-thione 1-[[(3R)-3-ethyl-1-piperidyl]met…

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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) 2.23 12.42 -57.88 1 5 1 40 306.459 3 ↓

Analogs

42095390
42095390

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(3S)-3-ethyl-1-piperidyl]methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-thione 1-[[(3S)-3-ethyl-1-piperidyl]met…

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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) 2.23 12.4 -58.71 1 5 1 40 306.459 3 ↓

Parameters Provided:

ring.id = 123330
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 = 123330 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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