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

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Popular Name: (3S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-pyrrolidine-3-carboxamide (3S)-N-(2,3-dihydro-1,4-benzodio…

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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) 1.16 3.3 -46.27 3 5 1 64 263.317 2 ↓

Analogs

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Popular Name: (3R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-pyrrolidine-3-carboxamide (3R)-N-(2,3-dihydro-1,4-benzodio…

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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) 1.16 3.22 -44.88 3 5 1 64 263.317 2 ↓

Analogs

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Popular Name: (3S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-ethyl-pyrrolidine-3-carboxamide (3S)-N-(2,3-dihydro-1,4-benzodio…

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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) 1.49 3.78 -45.98 3 5 1 64 277.344 3 ↓

Analogs

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Popular Name: (3R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-ethyl-pyrrolidine-3-carboxamide (3R)-N-(2,3-dihydro-1,4-benzodio…

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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) 1.49 3.82 -44.4 3 5 1 64 277.344 3 ↓

Analogs

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Popular Name: (3S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-propyl-pyrrolidine-3-carboxamide (3S)-N-(2,3-dihydro-1,4-benzodio…

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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) 2.05 4.55 -46.54 3 5 1 64 291.371 4 ↓

Analogs

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Popular Name: (3R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-propyl-pyrrolidine-3-carboxamide (3R)-N-(2,3-dihydro-1,4-benzodio…

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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) 2.05 4.59 -44.94 3 5 1 64 291.371 4 ↓

Analogs

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Popular Name: (3S)-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-methyl-pyrrolidine-3-carboxamide (3S)-N-(6-chloro-2,3-dihydro-1,4…

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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) 1.76 3.94 -44.17 3 5 1 64 297.762 2 ↓

Analogs

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Popular Name: (3R)-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-methyl-pyrrolidine-3-carboxamide (3R)-N-(6-chloro-2,3-dihydro-1,4…

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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) 1.76 3.86 -43.67 3 5 1 64 297.762 2 ↓

Analogs

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Popular Name: (3S)-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-ethyl-pyrrolidine-3-carboxamide (3S)-N-(6-chloro-2,3-dihydro-1,4…

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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) 2.10 4.43 -45.35 3 5 1 64 311.789 3 ↓

Analogs

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Popular Name: (3R)-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-ethyl-pyrrolidine-3-carboxamide (3R)-N-(6-chloro-2,3-dihydro-1,4…

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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) 2.10 4.47 -43.11 3 5 1 64 311.789 3 ↓

Analogs

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Popular Name: (3S)-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-methyl-pyrrolidine-3-carboxamide (3S)-N-(6-bromo-2,3-dihydro-1,4-…

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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) 1.89 4.07 -44.2 3 5 1 64 342.213 2 ↓

Analogs

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Popular Name: (3R)-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-methyl-pyrrolidine-3-carboxamide (3R)-N-(6-bromo-2,3-dihydro-1,4-…

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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) 1.89 4 -43.65 3 5 1 64 342.213 2 ↓

Analogs

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Popular Name: (3S)-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-ethyl-pyrrolidine-3-carboxamide (3S)-N-(6-bromo-2,3-dihydro-1,4-…

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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) 2.23 4.58 -45.38 3 5 1 64 356.24 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-ethyl-pyrrolidine-3-carboxamide (3R)-N-(6-bromo-2,3-dihydro-1,4-…

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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) 2.23 4.62 -43.09 3 5 1 64 356.24 3 ↓

Parameters Provided:

ring.id = 300268
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 = 300268 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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