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

42393191
42393191
42393194
42393194

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-(6-amino-2,3-dihydro-1,4-benzodioxin-7-yl)-N,N-dimethyl-pyrrolidine-2-carboxamide (2S)-1-(6-amino-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) 0.26 4.14 -15.26 2 6 0 68 291.351 2 ↓

Analogs

42393191
42393191
42393194
42393194

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-(6-amino-2,3-dihydro-1,4-benzodioxin-7-yl)-N,N-dimethyl-pyrrolidine-2-carboxamide (2R)-1-(6-amino-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) 0.26 4.16 -14.87 2 6 0 68 291.351 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(6-amino-2,3-dihydro-1,4-benzodioxin-7-yl)-N,N-dimethyl-pyrrolidin-3-amine (3R)-1-(6-amino-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) 1.11 5.12 -40.01 3 5 1 52 264.349 2 ↓
Hi High (pH 8-9.5) 1.11 2.73 -5.47 2 5 0 51 263.341 2 ↓
Lo Low (pH 4.5-6) 1.11 5.02 -100.96 4 5 2 54 265.357 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(6-amino-2,3-dihydro-1,4-benzodioxin-7-yl)-N,N-dimethyl-pyrrolidin-3-amine (3S)-1-(6-amino-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) 1.11 5.13 -39.49 3 5 1 52 264.349 2 ↓
Hi High (pH 8-9.5) 1.11 2.74 -5.9 2 5 0 51 263.341 2 ↓
Lo Low (pH 4.5-6) 1.11 5.03 -99.01 4 5 2 54 265.357 2 ↓

Analogs

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Popular Name: (3R)-1-(6-amino-2,3-dihydro-1,4-benzodioxin-7-yl)-N,N-diethyl-pyrrolidin-3-amine (3R)-1-(6-amino-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) 1.86 6.15 -37.82 3 5 1 52 292.403 4 ↓
Hi High (pH 8-9.5) 1.86 4.15 -5.32 2 5 0 51 291.395 4 ↓
Lo Low (pH 4.5-6) 1.86 6.06 -100.53 4 5 2 54 293.411 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(6-amino-2,3-dihydro-1,4-benzodioxin-7-yl)-N,N-diethyl-pyrrolidin-3-amine (3S)-1-(6-amino-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) 1.86 6.14 -37.26 3 5 1 52 292.403 4 ↓
Hi High (pH 8-9.5) 1.86 4.03 -5.68 2 5 0 51 291.395 4 ↓
Lo Low (pH 4.5-6) 1.86 6.04 -98.27 4 5 2 54 293.411 4 ↓

Analogs

44689003
44689003
44689006
44689006
45650289
45650289
45650291
45650291

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-propyl-pyrrolidin-3-amine (3R)-1-(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) 2.33 5.96 -46.82 2 4 1 38 263.361 4 ↓

Analogs

44689003
44689003
44689006
44689006
45650289
45650289
45650291
45650291

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-propyl-pyrrolidin-3-amine (3S)-1-(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) 2.33 5.99 -46.48 2 4 1 38 263.361 4 ↓

Analogs

44689003
44689003
44689006
44689006
45650289
45650289
45650291
45650291

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-pyrrolidin-3-amine (3R)-1-(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) 1.83 5.2 -45.79 2 4 1 38 249.334 3 ↓

Analogs

44689003
44689003
44689006
44689006
45650289
45650289
45650291
45650291

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-pyrrolidin-3-amine (3S)-1-(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) 1.83 5.23 -45.49 2 4 1 38 249.334 3 ↓

Analogs

45650289
45650289
45650291
45650291

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-pyrrolidin-3-amine (3R)-1-(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) 1.45 4.38 -47.05 2 4 1 38 235.307 2 ↓

Analogs

45650289
45650289
45650291
45650291

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-pyrrolidin-3-amine (3S)-1-(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) 1.45 4.39 -46.69 2 4 1 38 235.307 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-3-amine (3R)-1-(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) 0.54 2.6 -52.2 3 4 1 49 221.28 1 ↓

Parameters Provided:

ring.id = 64390
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 = 64390 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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