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

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[1-[(1R,2S,4S)-2,4-dimethylcyclohexyl]-4,6-dimethyl-2-oxo-pyrimidin-5-yl]acetic 2-[1-[(1R,2S,4S)-2,4-dimethylcyc…

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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) 1.89 7.37 -45.03 0 5 -1 75 291.371 3 ↓
Lo Low (pH 4.5-6) 1.89 8.47 -34.91 1 5 0 76 292.379 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[1-[(1S,2S,4S)-2,4-dimethylcyclohexyl]-4,6-dimethyl-2-oxo-pyrimidin-5-yl]acetic 2-[1-[(1S,2S,4S)-2,4-dimethylcyc…

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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) 1.89 8.18 -50.21 0 5 -1 75 291.371 3 ↓
Lo Low (pH 4.5-6) 1.89 9.27 -35.2 1 5 0 76 292.379 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[1-[(1R,2S,4R)-2,4-dimethylcyclohexyl]-4,6-dimethyl-2-oxo-pyrimidin-5-yl]acetic 2-[1-[(1R,2S,4R)-2,4-dimethylcyc…

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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) 1.89 7.77 -48.76 0 5 -1 75 291.371 3 ↓
Lo Low (pH 4.5-6) 1.89 8.87 -34.61 1 5 0 76 292.379 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[1-[(1S,2S,4R)-2,4-dimethylcyclohexyl]-4,6-dimethyl-2-oxo-pyrimidin-5-yl]acetic 2-[1-[(1S,2S,4R)-2,4-dimethylcyc…

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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) 1.89 7.93 -49.89 0 5 -1 75 291.371 3 ↓
Lo Low (pH 4.5-6) 1.89 9.03 -35.15 1 5 0 76 292.379 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(1-cyclohexyl-4,6-dimethyl-2-oxo-pyrimidin-5-yl)propanoic 3-(1-cyclohexyl-4,6-dimethyl-2-o…

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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 7.32 -48.13 0 5 -1 75 277.344 4 ↓
Lo Low (pH 4.5-6) 2.16 8.42 -44.39 1 5 0 76 278.352 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(1-cyclohexyl-4,6-dimethyl-2-oxo-pyrimidin-5-yl)acetic 2-(1-cyclohexyl-4,6-dimethyl-2-o…

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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 6.59 -49.84 0 5 -1 75 263.317 3 ↓
Lo Low (pH 4.5-6) 1.64 7.7 -35.5 1 5 0 76 264.325 3 ↓

Analogs

52295515
52295515
52295518
52295518
52295521
52295521
52295522
52295522

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[4,6-dimethyl-1-[(1R,2S)-2-methylcyclohexyl]-2-oxo-pyrimidin-5-yl]propanoic 3-[4,6-dimethyl-1-[(1R,2S)-2-met…

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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) 2.40 7.46 -44.32 0 5 -1 75 291.371 4 ↓
Lo Low (pH 4.5-6) 2.40 8.57 -43.94 1 5 0 76 292.379 4 ↓

Analogs

52295515
52295515
52295518
52295518
52295521
52295521
52295522
52295522

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[4,6-dimethyl-1-[(1S,2S)-2-methylcyclohexyl]-2-oxo-pyrimidin-5-yl]propanoic 3-[4,6-dimethyl-1-[(1S,2S)-2-met…

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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) 2.40 8.28 -48.51 0 5 -1 75 291.371 4 ↓
Lo Low (pH 4.5-6) 2.40 9.38 -44.05 1 5 0 76 292.379 4 ↓

Analogs

52295515
52295515
52295518
52295518
52295521
52295521
52295522
52295522

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[4,6-dimethyl-1-[(1R,2R)-2-methylcyclohexyl]-2-oxo-pyrimidin-5-yl]propanoic 3-[4,6-dimethyl-1-[(1R,2R)-2-met…

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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) 2.40 8.28 -48.46 0 5 -1 75 291.371 4 ↓
Lo Low (pH 4.5-6) 2.40 9.38 -44.12 1 5 0 76 292.379 4 ↓

Analogs

52295515
52295515
52295518
52295518
52295521
52295521
52295522
52295522

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[4,6-dimethyl-1-[(1S,2R)-2-methylcyclohexyl]-2-oxo-pyrimidin-5-yl]propanoic 3-[4,6-dimethyl-1-[(1S,2R)-2-met…

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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) 2.40 7.46 -44.28 0 5 -1 75 291.371 4 ↓
Lo Low (pH 4.5-6) 2.40 8.58 -43.9 1 5 0 76 292.379 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4,6-dimethyl-1-[(1R,2S)-2-methylcyclohexyl]-2-oxo-pyrimidin-5-yl]acetic 2-[4,6-dimethyl-1-[(1R,2S)-2-met…

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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 6.76 -45.54 0 5 -1 75 277.344 3 ↓
Lo Low (pH 4.5-6) 1.88 7.86 -34.91 1 5 0 76 278.352 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4,6-dimethyl-1-[(1S,2S)-2-methylcyclohexyl]-2-oxo-pyrimidin-5-yl]acetic 2-[4,6-dimethyl-1-[(1S,2S)-2-met…

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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 7.57 -50.41 0 5 -1 75 277.344 3 ↓
Lo Low (pH 4.5-6) 1.88 8.66 -35.32 1 5 0 76 278.352 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4,6-dimethyl-1-[(1R,2R)-2-methylcyclohexyl]-2-oxo-pyrimidin-5-yl]acetic 2-[4,6-dimethyl-1-[(1R,2R)-2-met…

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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 7.57 -50.35 0 5 -1 75 277.344 3 ↓
Lo Low (pH 4.5-6) 1.88 8.66 -35.2 1 5 0 76 278.352 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4,6-dimethyl-1-[(1S,2R)-2-methylcyclohexyl]-2-oxo-pyrimidin-5-yl]acetic 2-[4,6-dimethyl-1-[(1S,2R)-2-met…

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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 6.75 -45.83 0 5 -1 75 277.344 3 ↓
Lo Low (pH 4.5-6) 1.88 7.86 -35.17 1 5 0 76 278.352 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[4,6-dimethyl-1-(4-methylcyclohexyl)-2-oxo-pyrimidin-5-yl]propanoic 3-[4,6-dimethyl-1-(4-methylcyclo…

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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) 1.93 7.93 -47.96 0 5 -1 75 291.371 4 ↓
Lo Low (pH 4.5-6) 1.93 9.03 -44.41 1 5 0 76 292.379 4 ↓

Parameters Provided:

ring.id = 524915
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 = 524915 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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