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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: 5-[(1R)-1-[[(1R,2S,4S)-2,4-dimethylcyclohexyl]amino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one 5-[(1R)-1-[[(1R,2S,4S)-2,4-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) 2.19 7.02 -29.83 3 4 1 62 278.42 3 ↓
Hi High (pH 8-9.5) 2.19 6.38 -7.76 2 4 0 58 277.412 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(1S)-1-[[(1R,2S,4S)-2,4-dimethylcyclohexyl]amino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one 5-[(1S)-1-[[(1R,2S,4S)-2,4-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) 2.19 6.89 -29.28 3 4 1 62 278.42 3 ↓
Hi High (pH 8-9.5) 2.19 6.36 -7.81 2 4 0 58 277.412 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(1R)-1-[[(1S,2S,4S)-2,4-dimethylcyclohexyl]amino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one 5-[(1R)-1-[[(1S,2S,4S)-2,4-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) 2.19 6.69 -31.29 3 4 1 62 278.42 3 ↓
Hi High (pH 8-9.5) 2.19 6.11 -8.34 2 4 0 58 277.412 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(1S)-1-[[(1S,2S,4S)-2,4-dimethylcyclohexyl]amino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one 5-[(1S)-1-[[(1S,2S,4S)-2,4-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) 2.19 6.8 -31.23 3 4 1 62 278.42 3 ↓
Hi High (pH 8-9.5) 2.19 6.06 -8.62 2 4 0 58 277.412 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4-dimethyl-5-[(1S)-1-[(4-propylcyclohexyl)amino]ethyl]-1H-pyrimidin-6-one 2,4-dimethyl-5-[(1S)-1-[(4-propy…

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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 7.71 -30.74 3 4 1 62 292.447 5 ↓
Hi High (pH 8-9.5) 2.95 7.09 -7.66 2 4 0 58 291.439 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4-dimethyl-5-[(1R)-1-[(4-propylcyclohexyl)amino]ethyl]-1H-pyrimidin-6-one 2,4-dimethyl-5-[(1R)-1-[(4-propy…

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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 7.7 -30.71 3 4 1 62 292.447 5 ↓
Hi High (pH 8-9.5) 2.95 6.88 -9 2 4 0 58 291.439 5 ↓

Parameters Provided:

ring.id = 524286
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 = 524286 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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