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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

45910469
45910469
45910472
45910472
32510340
32510340
23584441
23584441
32510561
32510561

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4-amino-1-piperidyl)methyl]-9-methyl-pyrido[1,2-a]pyrimidin-4-one 2-[(4-amino-1-piperidyl)methyl]-…

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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) 0.76 5.94 -40.69 3 5 1 65 273.36 2 ↓
Lo Low (pH 4.5-6) 0.76 6.26 -113.91 4 5 2 66 274.368 2 ↓

Analogs

1651029
1651029
7378066
7378066

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4-amino-1-piperidyl)methyl]-7-methyl-pyrido[1,2-a]pyrimidin-4-one 2-[(4-amino-1-piperidyl)methyl]-…

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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) 0.76 6.3 -41.74 3 5 1 65 273.36 2 ↓
Lo Low (pH 4.5-6) 0.76 6.63 -115.41 4 5 2 66 274.368 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4-amino-1-piperidyl)methyl]-7-chloro-pyrido[1,2-a]pyrimidin-4-one 2-[(4-amino-1-piperidyl)methyl]-…

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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) 0.99 4.18 -51.27 3 5 1 65 293.778 2 ↓
Mid Mid (pH 6-8) 0.99 4.12 -93.98 4 5 2 67 294.786 2 ↓
Lo Low (pH 4.5-6) 0.99 6.48 -117.56 4 5 2 66 294.786 2 ↓

Analogs

44514161
44514161
48376015
48376015
48376016
48376016
48596253
48596253
15375966
15375966

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4-amino-1-piperidyl)methyl]-8-methyl-pyrido[1,2-a]pyrimidin-4-one 2-[(4-amino-1-piperidyl)methyl]-…

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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) 0.76 6.32 -40.62 3 5 1 65 273.36 2 ↓
Lo Low (pH 4.5-6) 0.76 6.64 -114.06 4 5 2 66 274.368 2 ↓

Analogs

7191856
7191856
7191857
7191857
7191855
7191855

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4-amino-1-piperidyl)methyl]-7-bromo-pyrido[1,2-a]pyrimidin-4-one 2-[(4-amino-1-piperidyl)methyl]-…

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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) 1.12 4.29 -50.82 3 5 1 65 338.229 2 ↓
Mid Mid (pH 6-8) 1.12 4.22 -93.7 4 5 2 67 339.237 2 ↓
Lo Low (pH 4.5-6) 1.12 6.58 -117.25 4 5 2 66 339.237 2 ↓

Analogs

44514161
44514161
48376015
48376015
48376016
48376016
48596253
48596253
15375966
15375966

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4-amino-1-piperidyl)methyl]pyrido[1,2-a]pyrimidin-4-one 2-[(4-amino-1-piperidyl)methyl]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) 0.36 3.61 -91.5 4 5 2 67 260.341 2 ↓
Mid Mid (pH 6-8) 0.36 3.68 -52.86 3 5 1 65 259.333 2 ↓
Lo Low (pH 4.5-6) 0.36 5.84 -196.84 5 5 3 68 261.349 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-chloro-2-[[(2R)-2-ethyl-1-piperidyl]methyl]pyrido[1,2-a]pyrimidin-4-one 7-chloro-2-[[(2R)-2-ethyl-1-pipe…

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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) 3.50 9.73 -38.22 1 4 1 39 306.817 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-chloro-2-[[(2S)-2-ethyl-1-piperidyl]methyl]pyrido[1,2-a]pyrimidin-4-one 7-chloro-2-[[(2S)-2-ethyl-1-pipe…

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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) 3.50 10.32 -38.76 1 4 1 39 306.817 3 ↓

Analogs

16591102
16591102

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Popular Name: 7-methyl-2-[[(3R)-3-(trifluoromethyl)-1-piperidyl]methyl]pyrido[2,1-b]pyrimidin-4-one 7-methyl-2-[[(3R)-3-(trifluorome…

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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) 3.19 7.92 -36.5 1 4 1 39 326.342 3 ↓
Mid Mid (pH 6-8) 3.19 7.99 -11.85 0 4 0 38 325.334 3 ↓

Analogs

16591101
16591101

Draw Identity 99% 90% 80% 70%

Popular Name: 7-methyl-2-[[(3S)-3-(trifluoromethyl)-1-piperidyl]methyl]pyrido[2,1-b]pyrimidin-4-one 7-methyl-2-[[(3S)-3-(trifluorome…

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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) 3.19 7.81 -35.66 1 4 1 39 326.342 3 ↓
Mid Mid (pH 6-8) 3.19 7.41 -11.56 0 4 0 38 325.334 3 ↓

Analogs

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Popular Name: N-methyl-N-[1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-4-piperidyl]ethanesulfonamide N-methyl-N-[1-[(4-oxopyrido[1,2-…

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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) 1.26 7.31 -54.28 1 7 1 76 365.479 5 ↓
Hi High (pH 8-9.5) 1.26 5.03 -19.84 0 7 0 75 364.471 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[1-[(7-chloro-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl]-4-piperidyl]-N-methyl-ethanesulfonamide N-[1-[(7-chloro-4-oxo-pyrido[1,2…

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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) 1.90 7.82 -55.84 1 7 1 76 399.924 5 ↓
Mid Mid (pH 6-8) 1.90 5.53 -17.32 0 7 0 75 398.916 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(3S)-3-hydroxy-1-piperidyl]methyl]-8-methyl-pyrido[1,2-a]pyrimidin-4-one 2-[[(3S)-3-hydroxy-1-piperidyl]m…

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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) 1.25 5.46 -39.47 2 5 1 59 274.344 2 ↓
Hi High (pH 8-9.5) 1.25 3.17 -11.97 1 5 0 58 273.336 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(3R)-3-hydroxy-1-piperidyl]methyl]-8-methyl-pyrido[1,2-a]pyrimidin-4-one 2-[[(3R)-3-hydroxy-1-piperidyl]m…

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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) 1.25 6.03 -39.88 2 5 1 59 274.344 2 ↓
Hi High (pH 8-9.5) 1.25 3.74 -12.09 1 5 0 58 273.336 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-bromo-2-[[(3S)-3-(hydroxymethyl)-1-piperidyl]methyl]pyrido[1,2-a]pyrimidin-4-one 7-bromo-2-[[(3S)-3-(hydroxymethy…

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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) 2.00 6.04 -44.2 2 5 1 59 353.24 3 ↓
Hi High (pH 8-9.5) 2.00 3.76 -10.63 1 5 0 58 352.232 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-bromo-2-[[(3R)-3-(hydroxymethyl)-1-piperidyl]methyl]pyrido[1,2-a]pyrimidin-4-one 7-bromo-2-[[(3R)-3-(hydroxymethy…

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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) 2.00 6.61 -44.8 2 5 1 59 353.24 3 ↓
Hi High (pH 8-9.5) 2.00 4.34 -10.9 1 5 0 58 352.232 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(3S)-3-(hydroxymethyl)-1-piperidyl]methyl]-7-methyl-pyrido[1,2-a]pyrimidin-4-one 2-[[(3S)-3-(hydroxymethyl)-1-pip…

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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) 1.64 6.09 -43.17 2 5 1 59 288.371 3 ↓
Hi High (pH 8-9.5) 1.64 3.8 -13.38 1 5 0 58 287.363 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(3R)-3-(hydroxymethyl)-1-piperidyl]methyl]-7-methyl-pyrido[1,2-a]pyrimidin-4-one 2-[[(3R)-3-(hydroxymethyl)-1-pip…

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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) 1.64 6.66 -43.78 2 5 1 59 288.371 3 ↓
Hi High (pH 8-9.5) 1.64 4.38 -13.59 1 5 0 58 287.363 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-(2-aminoethyl)-1-piperidyl]methyl]pyrido[1,2-a]pyrimidin-4-one 2-[[4-(2-aminoethyl)-1-piperidyl…

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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) 1.12 7.35 -102.67 4 5 2 66 288.395 4 ↓

Parameters Provided:

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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 = 27823 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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