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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: 3,6-dimethyl-N-[[1-(m-tolylmethyl)-4-piperidyl]methyl]-4-oxo-furo[2,3-d]pyrimidine-5-carboxamide 3,6-dimethyl-N-[[1-(m-tolylmethy…

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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) 2.14 9.43 -56.8 2 7 1 82 409.51 5 ↓

Analogs

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Popular Name: 3,6-dimethyl-4-oxo-N-[[1-(p-tolylmethyl)-4-piperidyl]methyl]furo[2,3-d]pyrimidine-5-carboxamide 3,6-dimethyl-4-oxo-N-[[1-(p-toly…

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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) 2.16 9.43 -56.81 2 7 1 82 409.51 5 ↓

Analogs

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Popular Name: N-[[1-[(4-chlorophenyl)methyl]-4-piperidyl]methyl]-3,6-dimethyl-4-oxo-furo[2,3-d]pyrimidine-5-carbox N-[[1-[(4-chlorophenyl)methyl]-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) 2.39 9.27 -60.42 2 7 1 82 429.928 5 ↓

Analogs

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Popular Name: N-[[1-[(4-fluorophenyl)methyl]-4-piperidyl]methyl]-3,6-dimethyl-4-oxo-furo[2,3-d]pyrimidine-5-carbox N-[[1-[(4-fluorophenyl)methyl]-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) 1.88 8.82 -61.41 2 7 1 82 413.473 5 ↓

Analogs

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Popular Name: N-[[1-[(2,5-dimethylphenyl)methyl]-4-piperidyl]methyl]-3,6-dimethyl-4-oxo-furo[2,3-d]pyrimidine-5-ca N-[[1-[(2,5-dimethylphenyl)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) 2.54 10.03 -56.73 2 7 1 82 423.537 5 ↓

Analogs

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Popular Name: N-[[1-[(3-chlorophenyl)methyl]-4-piperidyl]methyl]-3,6-dimethyl-4-oxo-furo[2,3-d]pyrimidine-5-carbox N-[[1-[(3-chlorophenyl)methyl]-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) 2.37 9.26 -59.26 2 7 1 82 429.928 5 ↓

Analogs

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Popular Name: N-[[1-[(2-fluorophenyl)methyl]-4-piperidyl]methyl]-3,6-dimethyl-4-oxo-furo[2,3-d]pyrimidine-5-carbox N-[[1-[(2-fluorophenyl)methyl]-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) 1.83 8.65 -55.52 2 7 1 82 413.473 5 ↓

Analogs

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Popular Name: N-[[1-[(3-fluorophenyl)methyl]-4-piperidyl]methyl]-3,6-dimethyl-4-oxo-furo[2,3-d]pyrimidine-5-carbox N-[[1-[(3-fluorophenyl)methyl]-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) 1.86 8.82 -60.28 2 7 1 82 413.473 5 ↓

Analogs

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Popular Name: N-[[1-[(2-chlorophenyl)methyl]-4-piperidyl]methyl]-3,6-dimethyl-4-oxo-furo[2,3-d]pyrimidine-5-carbox N-[[1-[(2-chlorophenyl)methyl]-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) 2.35 9.25 -53.91 2 7 1 82 429.928 5 ↓

Analogs

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Popular Name: N-[[1-[(4-chlorophenyl)methyl]-4-piperidyl]methyl]-3-isobutyl-6-methyl-4-oxo-furo[2,3-d]pyrimidine-5 N-[[1-[(4-chlorophenyl)methyl]-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) 3.52 11.09 -58.13 2 7 1 82 472.009 7 ↓

Analogs

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Popular Name: 3-isobutyl-6-methyl-N-[[1-(o-tolylmethyl)-4-piperidyl]methyl]-4-oxo-furo[2,3-d]pyrimidine-5-carboxam 3-isobutyl-6-methyl-N-[[1-(o-tol…

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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) 3.24 11.25 -54.51 2 7 1 82 451.591 7 ↓

Analogs

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Popular Name: N-[[1-[(4-fluorophenyl)methyl]-4-piperidyl]methyl]-3-isobutyl-6-methyl-4-oxo-furo[2,3-d]pyrimidine-5 N-[[1-[(4-fluorophenyl)methyl]-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) 3.00 11.05 -59.38 2 7 1 82 455.554 7 ↓

Analogs

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Popular Name: N-[[1-[(2,5-dimethylphenyl)methyl]-4-piperidyl]methyl]-3-isobutyl-6-methyl-4-oxo-furo[2,3-d]pyrimidi N-[[1-[(2,5-dimethylphenyl)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) 3.66 12.32 -53.08 2 7 1 82 465.618 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-[(3-chlorophenyl)methyl]-4-piperidyl]methyl]-3-isobutyl-6-methyl-4-oxo-furo[2,3-d]pyrimidine-5 N-[[1-[(3-chlorophenyl)methyl]-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) 3.49 11.49 -57.24 2 7 1 82 472.009 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-[(2-fluorophenyl)methyl]-4-piperidyl]methyl]-3-isobutyl-6-methyl-4-oxo-furo[2,3-d]pyrimidine-5 N-[[1-[(2-fluorophenyl)methyl]-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) 2.95 10.87 -53.75 2 7 1 82 455.554 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-[(3-fluorophenyl)methyl]-4-piperidyl]methyl]-3-isobutyl-6-methyl-4-oxo-furo[2,3-d]pyrimidine-5 N-[[1-[(3-fluorophenyl)methyl]-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) 2.98 10.64 -58.04 2 7 1 82 455.554 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-[(2-chlorophenyl)methyl]-4-piperidyl]methyl]-3-isobutyl-6-methyl-4-oxo-furo[2,3-d]pyrimidine-5 N-[[1-[(2-chlorophenyl)methyl]-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) 3.47 11.48 -52 2 7 1 82 472.009 7 ↓

Parameters Provided:

ring.id = 391465
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 = 391465 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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