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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: (5E)-3-[(2R)-2-ethylhexyl]-5-[[2-(4-methyl-1-piperidyl)-4-oxo-pyrido[1,2-a]pyrimidin-3-yl]methylene] (5E)-3-[(2R)-2-ethylhexyl]-5-[[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) 5.50 15.68 -15.44 0 6 0 60 498.718 8 ↓

Analogs

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Popular Name: (5E)-3-[(2S)-2-ethylhexyl]-5-[[2-(4-methyl-1-piperidyl)-4-oxo-pyrido[1,2-a]pyrimidin-3-yl]methylene] (5E)-3-[(2S)-2-ethylhexyl]-5-[[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) 5.50 15.25 -15.54 0 6 0 60 498.718 8 ↓

Analogs

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Popular Name: (5E)-3-[(2R)-2-ethylhexyl]-5-[[9-methyl-2-(4-methyl-1-piperidyl)-4-oxo-pyrido[1,2-a]pyrimidin-3-yl]m (5E)-3-[(2R)-2-ethylhexyl]-5-[[9…

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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) 5.90 16.62 -15.08 0 6 0 60 512.745 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-3-[(2S)-2-ethylhexyl]-5-[[9-methyl-2-(4-methyl-1-piperidyl)-4-oxo-pyrido[1,2-a]pyrimidin-3-yl]m (5E)-3-[(2S)-2-ethylhexyl]-5-[[9…

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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) 5.90 16.68 -14.04 0 6 0 60 512.745 8 ↓

Analogs

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

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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) 5.90 16.46 -14.7 0 6 0 60 512.745 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 5.90 16.51 -13.89 0 6 0 60 512.745 8 ↓

Analogs

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Popular Name: 1-[3-[(E)-(3-allyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]-7-methyl-4-oxo-pyrido[1,2-a]pyrimidi 1-[3-[(E)-(3-allyl-4-oxo-2-thiox…

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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) 1.71 8.47 -21.53 2 8 0 103 469.592 5 ↓

Analogs

12621454
12621454

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Popular Name: (5E)-3-allyl-5-[[2-(4-methyl-1-piperidyl)-4-oxo-pyrido[1,2-a]pyrimidin-3-yl]methylene]-2-thioxo-thia (5E)-3-allyl-5-[[2-(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) 2.95 12.68 -16.18 0 6 0 60 426.567 4 ↓

Analogs

9158081
9158081

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Popular Name: 1-[3-[(E)-[3-(2-methoxyethyl)-4-oxo-2-thioxo-thiazolidin-5-ylidene]methyl]-7-methyl-4-oxo-pyrido[1,2 1-[3-[(E)-[3-(2-methoxyethyl)-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) 1.05 7.57 -22.77 2 9 0 112 487.607 6 ↓

Analogs

9109474
9109474

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Popular Name: 1-[3-[(E)-[3-(3-methoxypropyl)-4-oxo-2-thioxo-thiazolidin-5-ylidene]methyl]-7-methyl-4-oxo-pyrido[1, 1-[3-[(E)-[3-(3-methoxypropyl)-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) 1.32 7.72 -23.35 2 9 0 112 501.634 7 ↓

Analogs

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Popular Name: 2-[(3R,5S)-3,5-dimethyl-1-piperidyl]-3-[(Z)-(3-ethyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]-7- 2-[(3R,5S)-3,5-dimethyl-1-piperi…

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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) 3.56 13.36 -13.7 0 6 0 60 442.61 3 ↓

Analogs

16156537
16156537
33248639
33248639
34988084
34988084
35520388
35520388
39716357
39716357

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Popular Name: 4-[(5Z)-5-[[2-(4-methyl-1-piperidyl)-4-oxo-pyrido[1,2-a]pyrimidin-3-yl]methylene]-4-oxo-2-thioxo-thi 4-[(5Z)-5-[[2-(4-methyl-1-piperi…

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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 -1.64 -63.81 0 8 -1 100 471.584 6 ↓

Analogs

2195184
2195184
9359977
9359977
9359979
9359979

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Popular Name: (5Z)-5-[[2-[(3S,5S)-3,5-dimethyl-1-piperidyl]-9-methyl-4-oxo-pyrido[1,2-a]pyrimidin-3-yl]methylene]- (5Z)-5-[[2-[(3S,5S)-3,5-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) 4.43 14.81 -13.15 0 6 0 60 470.664 4 ↓

Analogs

2195184
2195184
9359977
9359977
9359979
9359979

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[[2-[(3S,5S)-3,5-dimethyl-1-piperidyl]-9-methyl-4-oxo-pyrido[1,2-a]pyrimidin-3-yl]methylene]- (5Z)-5-[[2-[(3S,5S)-3,5-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) 4.43 14.8 -13.05 0 6 0 60 470.664 4 ↓

Analogs

36538847
36538847
9412059
9412059
26531795
26531795
26531801
26531801

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Popular Name: (5Z)-5-[[2-[(3S,5S)-3,5-dimethyl-1-piperidyl]-4-oxo-pyrido[1,2-a]pyrimidin-3-yl]methylene]-3-[(1R)-1 (5Z)-5-[[2-[(3S,5S)-3,5-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) 4.03 13.94 -13.69 0 6 0 60 456.637 4 ↓

Analogs

36538845
36538845
9412059
9412059
26531795
26531795

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[[2-[(3S,5S)-3,5-dimethyl-1-piperidyl]-4-oxo-pyrido[1,2-a]pyrimidin-3-yl]methylene]-3-[(1S)-1 (5Z)-5-[[2-[(3S,5S)-3,5-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) 4.03 13.93 -13.6 0 6 0 60 456.637 4 ↓

Parameters Provided:

ring.id = 13416
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 = 13416 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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