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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

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Popular Name: 5-[cyclopropylmethyl(ethyl)amino]-2-isopropyl-pyrimidine-4-carboxylic 5-[cyclopropylmethyl(ethyl)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) 2.46 8.74 -49.82 0 5 -1 69 262.333 6 ↓

Analogs

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Popular Name: [5-[cyclopropylmethyl(ethyl)amino]-2-isopropyl-pyrimidin-4-yl]methanol [5-[cyclopropylmethyl(ethyl)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) 2.23 5.42 -6.13 1 4 0 49 249.358 6 ↓

Analogs

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Popular Name: 4-(chloromethyl)-N-(cyclopropylmethyl)-N-ethyl-2-isopropyl-pyrimidin-5-amine 4-(chloromethyl)-N-(cyclopropylm…

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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) 3.46 9.28 -3.61 0 3 0 29 267.804 6 ↓

Analogs

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Popular Name: N-(cyclopropylmethyl)-N-ethyl-2-isopropyl-4-(methylaminomethyl)pyrimidin-5-amine N-(cyclopropylmethyl)-N-ethyl-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) 2.45 8.01 -38.32 2 4 1 46 263.409 7 ↓
Hi High (pH 8-9.5) 2.45 6.57 -4.04 1 4 0 41 262.401 7 ↓

Analogs

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Popular Name: N-(cyclopropylmethyl)-N-ethyl-2-isopropyl-4-(propylaminomethyl)pyrimidin-5-amine N-(cyclopropylmethyl)-N-ethyl-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) 3.33 9.65 -37.19 2 4 1 46 291.463 9 ↓
Hi High (pH 8-9.5) 3.33 8.28 -3.72 1 4 0 41 290.455 9 ↓

Analogs

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Popular Name: 4-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyl-2-isopropyl-pyrimidin-5-amine 4-(aminomethyl)-N-(cyclopropylme…

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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) 2.07 6.14 -43.9 3 4 1 57 249.382 6 ↓
Hi High (pH 8-9.5) 2.07 5.76 -3.39 2 4 0 55 248.374 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclopropylmethyl)-N-ethyl-4-(ethylaminomethyl)-2-isopropyl-pyrimidin-5-amine N-(cyclopropylmethyl)-N-ethyl-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) 2.83 8.89 -36.56 2 4 1 46 277.436 8 ↓
Hi High (pH 8-9.5) 2.83 7.52 -3.86 1 4 0 41 276.428 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclopropylmethyl)-N-ethyl-2-isopropyl-4-[(isopropylamino)methyl]pyrimidin-5-amine N-(cyclopropylmethyl)-N-ethyl-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) 3.12 9.35 -34.76 2 4 1 46 291.463 8 ↓
Hi High (pH 8-9.5) 3.12 8.19 -3.87 1 4 0 41 290.455 8 ↓

Parameters Provided:

ring.id = 325386
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 = 325386 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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