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

Analogs

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Popular Name: [5-[cyclobutylmethyl(methyl)amino]-2-isopropyl-pyrimidin-4-yl]methanol [5-[cyclobutylmethyl(methyl)amin…

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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) 2.02 5.03 -5.86 1 4 0 49 249.358 5 ↓

Analogs

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Popular Name: 4-(chloromethyl)-N-(cyclobutylmethyl)-2-isopropyl-N-methyl-pyrimidin-5-amine 4-(chloromethyl)-N-(cyclobutylme…

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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 8.94 -3.56 0 3 0 29 267.804 5 ↓

Analogs

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Popular Name: 5-[cyclobutylmethyl(methyl)amino]-2-isopropyl-pyrimidine-4-carboxylic 5-[cyclobutylmethyl(methyl)amino…

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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) 2.26 8.62 -50.08 0 5 -1 69 262.333 5 ↓

Analogs

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Popular Name: N-(cyclobutylmethyl)-2-isopropyl-N-methyl-4-(methylaminomethyl)pyrimidin-5-amine N-(cyclobutylmethyl)-2-isopropyl…

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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) 2.25 7.65 -38.28 2 4 1 46 263.409 6 ↓
Hi High (pH 8-9.5) 2.25 6.2 -3.94 1 4 0 41 262.401 6 ↓

Analogs

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Popular Name: N-(cyclobutylmethyl)-4-(ethylaminomethyl)-2-isopropyl-N-methyl-pyrimidin-5-amine N-(cyclobutylmethyl)-4-(ethylami…

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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) 2.62 8.5 -37.6 2 4 1 46 277.436 7 ↓
Hi High (pH 8-9.5) 2.62 7.12 -3.78 1 4 0 41 276.428 7 ↓

Analogs

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Popular Name: N-(cyclobutylmethyl)-2-isopropyl-N-methyl-4-(propylaminomethyl)pyrimidin-5-amine N-(cyclobutylmethyl)-2-isopropyl…

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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) 3.12 9.25 -38.22 2 4 1 46 291.463 8 ↓
Hi High (pH 8-9.5) 3.12 7.89 -3.66 1 4 0 41 290.455 8 ↓

Analogs

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Popular Name: N-(cyclobutylmethyl)-2-isopropyl-4-[(isopropylamino)methyl]-N-methyl-pyrimidin-5-amine N-(cyclobutylmethyl)-2-isopropyl…

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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) 2.92 9.05 -35.03 2 4 1 46 291.463 7 ↓
Hi High (pH 8-9.5) 2.92 7.83 -3.62 1 4 0 41 290.455 7 ↓

Analogs

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Popular Name: 4-(aminomethyl)-N-(cyclobutylmethyl)-2-isopropyl-N-methyl-pyrimidin-5-amine 4-(aminomethyl)-N-(cyclobutylmet…

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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) 1.87 5.77 -43.68 3 4 1 57 249.382 5 ↓
Hi High (pH 8-9.5) 1.87 5.33 -3.21 2 4 0 55 248.374 5 ↓

Parameters Provided:

ring.id = 219420
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 = 219420 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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