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

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-5-[[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-oxo-pyrido[1,2-a]pyrimidin-3-yl]methylene]-3-[(2R) (5E)-5-[[2-[(2R,6S)-2,6-dimethyl…

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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) 4.93 13.65 -16.86 0 7 0 69 514.717 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-5-[[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-oxo-pyrido[1,2-a]pyrimidin-3-yl]methylene]-3-[(2S) (5E)-5-[[2-[(2R,6S)-2,6-dimethyl…

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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) 4.93 14.17 -14.65 0 7 0 69 514.717 8 ↓

Analogs

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Popular Name: (5E)-5-[[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-9-methyl-4-oxo-pyrido[1,2-a]pyrimidin-3-yl]methylene (5E)-5-[[2-[(2R,6S)-2,6-dimethyl…

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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) 5.33 14.72 -14.99 0 7 0 69 528.744 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-5-[[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-9-methyl-4-oxo-pyrido[1,2-a]pyrimidin-3-yl]methylene (5E)-5-[[2-[(2R,6S)-2,6-dimethyl…

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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) 5.33 14.67 -13.94 0 7 0 69 528.744 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-5-[[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-methyl-4-oxo-pyrido[1,2-a]pyrimidin-3-yl]methylene (5E)-5-[[2-[(2R,6S)-2,6-dimethyl…

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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) 5.33 14.29 -16.08 0 7 0 69 528.744 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-5-[[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-methyl-4-oxo-pyrido[1,2-a]pyrimidin-3-yl]methylene (5E)-5-[[2-[(2R,6S)-2,6-dimethyl…

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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) 5.33 14.82 -13.6 0 7 0 69 528.744 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-3-allyl-5-[[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-4-oxo-pyrido[1,2-a]pyrimidin-3-yl]methylene] (5E)-3-allyl-5-[[2-[(2R,6R)-2,6-…

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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) 2.38 10.38 -16.15 0 7 0 69 442.566 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-3-allyl-5-[[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-oxo-pyrido[1,2-a]pyrimidin-3-yl]methylene] (5E)-3-allyl-5-[[2-[(2R,6S)-2,6-…

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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) 2.38 11.02 -16.62 0 7 0 69 442.566 4 ↓

Analogs

9373050
9373050
9373051
9373051
12621477
12621477

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-3-allyl-5-[[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-7-methyl-4-oxo-pyrido[1,2-a]pyrimidin-3-yl]m (5E)-3-allyl-5-[[2-[(2R,6R)-2,6-…

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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) 2.78 11.07 -15.41 0 7 0 69 456.593 4 ↓

Analogs

9373050
9373050
9373051
9373051
12621477
12621477

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-3-allyl-5-[[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-methyl-4-oxo-pyrido[1,2-a]pyrimidin-3-yl]m (5E)-3-allyl-5-[[2-[(2S,6R)-2,6-…

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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) 2.78 11.7 -15.92 0 7 0 69 456.593 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-5-[[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-methyl-4-oxo-pyrido[1,2-a]pyrimidin-3-yl]methylene (5E)-5-[[2-[(2R,6S)-2,6-dimethyl…

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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 10.09 -17.25 0 8 0 78 488.635 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-5-[[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-7-methyl-4-oxo-pyrido[1,2-a]pyrimidin-3-yl]methylene (5E)-5-[[2-[(2S,6S)-2,6-dimethyl…

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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 10.33 -16.97 0 8 0 78 488.635 6 ↓

Analogs

39716311
39716311
39716312
39716312
39716313
39716313
39716314
39716314
39716315
39716315

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-[(Z)-(3-isobutyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)methy 2-[(2R,6S)-2,6-dimethylmorpholin…

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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) 3.26 12.72 -14.3 0 7 0 69 472.636 4 ↓

Analogs

39716301
39716301
39716302
39716302
39716303
39716303
39716304
39716304
39716305
39716305

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Popular Name: 3-[(Z)-(3-butyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]- 3-[(Z)-(3-butyl-4-oxo-2-thioxo-t…

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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) 3.57 12.95 -13.85 0 7 0 69 472.636 5 ↓

Analogs

39716327
39716327
39716328
39716328
39716329
39716329
39716330
39716330
2388403
2388403

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Popular Name: 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-[(Z)-[3-(3-methoxypropyl)-4-oxo-2-thioxo-thiazolidin-5-ylid 2-[(2R,6S)-2,6-dimethylmorpholin…

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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 11.27 -16.15 0 8 0 78 488.635 6 ↓

Analogs

1167073
1167073

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Popular Name: 9-methyl-3-[(Z)-(3-methyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]-2-morpholino-pyrido[2,1-b]pyr 9-methyl-3-[(Z)-(3-methyl-4-oxo-…

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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) 1.41 8.89 -14.9 0 7 0 69 402.501 2 ↓

Analogs

39716355
39716355
39716356
39716356

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Popular Name: 3-[(5Z)-5-[[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-9-methyl-4-oxo-pyrido[1,2-a]pyrimidin-3-yl]methyl 3-[(5Z)-5-[[2-[(2R,6S)-2,6-dimet…

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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) 1.65 11.03 -62.29 0 9 -1 109 487.583 5 ↓

Analogs

39716355
39716355
39716356
39716356

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(5Z)-5-[[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-9-methyl-4-oxo-pyrido[1,2-a]pyrimidin-3-yl]methyl 3-[(5Z)-5-[[2-[(2S,6S)-2,6-dimet…

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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) 1.65 11.19 -62.25 0 9 -1 109 487.583 5 ↓

Parameters Provided:

ring.id = 13417
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 = 13417 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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