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

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxine-5-carbonylamino)propanoic (2R)-2-cyclopropyl-2-(2,3-dihydr…

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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) -0.07 6.61 -64.26 1 6 -1 88 290.295 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxine-5-carbonylamino)propanoic (2S)-2-cyclopropyl-2-(2,3-dihydr…

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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) -0.07 6.63 -63.53 1 6 -1 88 290.295 4 ↓

Analogs

36884285
36884285
34570624
34570624

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclopropylmethyl)-2,3-dihydro-1,4-benzodioxine-8-carboxamide N-(cyclopropylmethyl)-2,3-dihydr…

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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 5.44 -12.57 1 4 0 48 233.267 3 ↓

Analogs

36884285
36884285
34570624
34570624

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(1S,2R)-2-methylcyclopropyl]methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide N-[[(1S,2R)-2-methylcyclopropyl]…

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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) 2.84 6.04 -12.48 1 4 0 48 247.294 3 ↓

Analogs

36884285
36884285
34570624
34570624

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(1S,2S)-2-methylcyclopropyl]methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide N-[[(1S,2S)-2-methylcyclopropyl]…

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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) 2.84 6.11 -12.37 1 4 0 48 247.294 3 ↓

Analogs

36884285
36884285
34570624
34570624

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(1R,2R)-2-methylcyclopropyl]methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide N-[[(1R,2R)-2-methylcyclopropyl]…

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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) 2.84 6.12 -12.38 1 4 0 48 247.294 3 ↓

Analogs

36884285
36884285
34570624
34570624

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(1R,2S)-2-methylcyclopropyl]methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide N-[[(1R,2S)-2-methylcyclopropyl]…

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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) 2.84 6.04 -12.47 1 4 0 48 247.294 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-cyclopropylethyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide N-[(1S)-1-cyclopropylethyl]-2,3-…

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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) 2.56 6.14 -12.59 1 4 0 48 247.294 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-cyclopropylethyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide N-[(1R)-1-cyclopropylethyl]-2,3-…

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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) 2.56 6.15 -12.59 1 4 0 48 247.294 3 ↓

Parameters Provided:

ring.id = 88414
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 = 88414 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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