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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: (5-amino-1H-pyrazol-4-yl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone (5-amino-1H-pyrazol-4-yl)-(1,3,4…

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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) 0.73 4.64 -9.12 3 5 0 75 256.309 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5-amino-3-methyl-1H-pyrazol-4-yl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone (5-amino-3-methyl-1H-pyrazol-4-y…

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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) 0.95 5.04 -9.36 3 5 0 75 270.336 1 ↓
Ref Reference (pH 7) 0.95 5.01 -9.79 3 5 0 75 270.336 1 ↓
Lo Low (pH 4.5-6) 0.95 5.16 -36.21 4 5 1 76 271.344 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1H-pyrazol-4-yl(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone 1H-pyrazol-4-yl(1,3,4,5-tetrahyd…

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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) 1.12 5.75 -9.5 1 4 0 49 241.294 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3,5-dimethyl-1H-pyrazol-4-yl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone (3,5-dimethyl-1H-pyrazol-4-yl)-(…

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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) 1.57 6.69 -9.99 1 4 0 49 269.348 1 ↓

Parameters Provided:

ring.id = 315418
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 = 315418 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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