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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: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(3-isopropyl-6-methyl-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulf N-[2-(3,4-dimethoxyphenyl)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) 3.45 7.64 -19.47 2 8 0 98 444.557 9 ↓

Analogs

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Popular Name: N-[2-(4-chlorophenyl)ethyl]-2-[(3-isopropyl-6-methyl-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl] N-[2-(4-chlorophenyl)ethyl]-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) 4.48 8.96 -15.68 2 6 0 80 418.95 7 ↓

Analogs

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Popular Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(3-isobutyl-6-methyl-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfa N-[2-(3,4-dimethoxyphenyl)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) 3.83 8.4 -19.38 2 8 0 98 458.584 10 ↓

Analogs

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Popular Name: N-[2-(4-chlorophenyl)ethyl]-2-[(3-isobutyl-6-methyl-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]a N-[2-(4-chlorophenyl)ethyl]-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) 4.86 9.72 -15.63 2 6 0 80 432.977 8 ↓

Analogs

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Popular Name: N-[2-(3,4-diethoxyphenyl)ethyl]-2-[(3-isobutyl-6-methyl-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfan N-[2-(3,4-diethoxyphenyl)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) 4.58 10.24 -19.21 2 8 0 98 486.638 12 ↓

Analogs

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Popular Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(3-isopentyl-6-methyl-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulf N-[2-(3,4-dimethoxyphenyl)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) 4.36 9.16 -19.74 2 8 0 98 472.611 11 ↓

Analogs

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Popular Name: N-[2-(4-chlorophenyl)ethyl]-2-[(3-isopentyl-6-methyl-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl] N-[2-(4-chlorophenyl)ethyl]-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) 5.39 10.48 -16.02 2 6 0 80 447.004 9 ↓

Analogs

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Popular Name: 2-[(3-butyl-6-methyl-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]-N-[2-(3,4-dimethoxyphenyl)ethyl 2-[(3-butyl-6-methyl-4-oxo-5H-py…

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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) 4.15 8.64 -19.97 2 8 0 98 458.584 11 ↓

Analogs

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Popular Name: 2-[(3-butyl-6-methyl-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]-N-[2-(4-chlorophenyl)ethyl]acet 2-[(3-butyl-6-methyl-4-oxo-5H-py…

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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) 5.18 9.97 -16.08 2 6 0 80 432.977 9 ↓

Analogs

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Popular Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[6-methyl-3-[(1R)-1-methylpropyl]-4-oxo-5H-pyrrolo[3,2-d]pyrimid N-[2-(3,4-dimethoxyphenyl)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) 3.95 8.64 -19.31 2 8 0 98 458.584 10 ↓

Analogs

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Popular Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[6-methyl-3-[(1S)-1-methylpropyl]-4-oxo-5H-pyrrolo[3,2-d]pyrimid N-[2-(3,4-dimethoxyphenyl)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) 3.95 8.64 -19.29 2 8 0 98 458.584 10 ↓

Analogs

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Popular Name: N-[2-(4-chlorophenyl)ethyl]-2-[[6-methyl-3-[(1R)-1-methylpropyl]-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-2- N-[2-(4-chlorophenyl)ethyl]-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) 4.98 9.96 -15.55 2 6 0 80 432.977 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(4-chlorophenyl)ethyl]-2-[[6-methyl-3-[(1S)-1-methylpropyl]-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-2- N-[2-(4-chlorophenyl)ethyl]-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) 4.98 9.96 -15.52 2 6 0 80 432.977 8 ↓

Parameters Provided:

ring.id = 506058
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 = 506058 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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