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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-cyclopropylpiperazin-1-yl)-[5-(3-hydroxyprop-1-ynyl)-3-pyridyl]methanone (4-cyclopropylpiperazin-1-yl)-[5…

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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) -0.53 4.66 -44.03 2 5 1 58 286.355 2 ↓
Mid Mid (pH 6-8) -0.53 2.48 -10.13 1 5 0 57 285.347 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-(3-aminoprop-1-ynyl)-3-pyridyl]-(4-cyclopropylpiperazin-1-yl)methanone [5-(3-aminoprop-1-ynyl)-3-pyridy…

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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) -1.09 5.37 -107.91 4 5 2 65 286.379 2 ↓
Mid Mid (pH 6-8) -1.09 2.78 -8.11 2 5 0 62 284.363 2 ↓
Mid Mid (pH 6-8) -1.09 3.19 -56.31 3 5 1 64 285.371 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5-amino-2-methyl-3-pyridyl)-(4-cyclopropylpiperazin-1-yl)methanone (5-amino-2-methyl-3-pyridyl)-(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) -0.06 4.34 -43.23 3 5 1 64 261.349 2 ↓
Mid Mid (pH 6-8) -0.06 2.15 -8.83 2 5 0 62 260.341 2 ↓
Lo Low (pH 4.5-6) -0.06 4.74 -85.99 4 5 2 65 262.357 2 ↓

Analogs

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Popular Name: (4-cyclopropylpiperazin-1-yl)-[6-(dimethylamino)-3-pyridyl]methanone (4-cyclopropylpiperazin-1-yl)-[6…

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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) 0.37 7.49 -43.4 1 5 1 41 275.376 3 ↓
Mid Mid (pH 6-8) 0.37 5.25 -9.79 0 5 0 40 274.368 3 ↓
Lo Low (pH 4.5-6) 0.37 7.84 -85.12 2 5 2 42 276.384 3 ↓

Analogs

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Popular Name: (4-cyclopropylpiperazin-1-yl)-(2-thioxo-1H-pyridin-3-yl)methanone (4-cyclopropylpiperazin-1-yl)-(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) 0.61 6.42 -70.62 1 4 0 38 263.366 2 ↓
Mid Mid (pH 6-8) 0.61 4.05 -58.69 0 4 -1 36 262.358 2 ↓
Mid Mid (pH 6-8) -0.12 6.81 -63.34 2 4 1 41 264.374 2 ↓

Analogs

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Popular Name: (5-bromo-3-pyridyl)-(4-cyclopropylpiperazin-1-yl)methanone (5-bromo-3-pyridyl)-(4-cycloprop…

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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) 0.88 6.4 -41.57 1 4 1 38 311.203 2 ↓
Mid Mid (pH 6-8) 0.88 4.19 -6.19 0 4 0 36 310.195 2 ↓

Analogs

41684765
41684765
41684766
41684766
41684781
41684781

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(4-cyclopropylpiperazine-1-carbonyl)pyridine-2-carboxamide 5-(4-cyclopropylpiperazine-1-car…

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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) -1.19 2.69 -46.53 3 6 1 81 275.332 3 ↓
Mid Mid (pH 6-8) -1.19 0.41 -9.77 2 6 0 80 274.324 3 ↓

Parameters Provided:

ring.id = 3382
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 = 3382 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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