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

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Popular Name: 1-[(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]pyrazole-4-carboxamide 1-[(7-amino-2,3-dihydro-1,4-benz…

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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) -0.35 0.02 -13.86 4 7 0 105 274.28 3 ↓

Analogs

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Popular Name: 2-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-4-methyl-pyrazol-3-amine 2-[(5-chloro-2,3-dihydro-1,4-ben…

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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) 2.28 5.37 -9.86 2 5 0 62 279.727 2 ↓
Mid Mid (pH 6-8) 2.28 5.54 -35.21 3 5 1 64 280.735 2 ↓

Analogs

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Popular Name: 2-[(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-4-methyl-pyrazol-3-amine 2-[(5-bromo-2,3-dihydro-1,4-benz…

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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) 2.41 5.49 -9.75 2 5 0 62 324.178 2 ↓
Mid Mid (pH 6-8) 2.41 5.66 -35 3 5 1 64 325.186 2 ↓

Parameters Provided:

ring.id = 537483
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 = 537483 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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