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

Analogs

52269111
52269111
52269114
52269114
52269117
52269117
52269120
52269120

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-(1,3-benzodioxol-5-ylmethyl)-1-cyclopropyl-ethanamine (1R)-N-(1,3-benzodioxol-5-ylmeth…

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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) 2.59 6.08 -43.37 2 3 1 35 220.292 4 ↓

Analogs

52269111
52269111
52269114
52269114
52269117
52269117
52269120
52269120

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-(1,3-benzodioxol-5-ylmethyl)-1-cyclopropyl-ethanamine (1S)-N-(1,3-benzodioxol-5-ylmeth…

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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) 2.59 5.88 -43.66 2 3 1 35 220.292 4 ↓

Analogs

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Popular Name: (1R)-1-(7-chloro-1,3-benzodioxol-5-yl)-N-(cyclopropylmethyl)-N-ethyl-ethane-1,2-diamine (1R)-1-(7-chloro-1,3-benzodioxol…

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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) 2.47 3.67 -51.17 3 4 1 49 297.806 6 ↓
Mid Mid (pH 6-8) 2.47 5.98 -135.23 4 4 2 51 298.814 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(7-chloro-1,3-benzodioxol-5-yl)-N-(cyclopropylmethyl)-N-ethyl-ethane-1,2-diamine (1S)-1-(7-chloro-1,3-benzodioxol…

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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) 2.47 4.07 -51.81 3 4 1 49 297.806 6 ↓
Mid Mid (pH 6-8) 2.47 5.98 -136.42 4 4 2 51 298.814 6 ↓

Analogs

42580590
42580590
42580593
42580593

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Popular Name: (1R)-1-(7-bromo-1,3-benzodioxol-5-yl)-N-(cyclopropylmethyl)-N-ethyl-ethane-1,2-diamine (1R)-1-(7-bromo-1,3-benzodioxol-…

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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) 2.60 3.77 -50.98 3 4 1 49 342.257 6 ↓
Mid Mid (pH 6-8) 2.60 6.08 -134.83 4 4 2 51 343.265 6 ↓

Analogs

42580590
42580590
42580593
42580593

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(7-bromo-1,3-benzodioxol-5-yl)-N-(cyclopropylmethyl)-N-ethyl-ethane-1,2-diamine (1S)-1-(7-bromo-1,3-benzodioxol-…

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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) 2.60 4.18 -51.58 3 4 1 49 342.257 6 ↓
Mid Mid (pH 6-8) 2.60 6.08 -136.08 4 4 2 51 343.265 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(1,3-benzodioxol-5-yl)-N-(cyclopropylmethyl)-N-ethyl-ethane-1,2-diamine (1R)-1-(1,3-benzodioxol-5-yl)-N-…

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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 3.15 -49.94 3 4 1 49 263.361 6 ↓
Mid Mid (pH 6-8) 1.86 5.45 -133.08 4 4 2 51 264.369 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(1,3-benzodioxol-5-yl)-N-(cyclopropylmethyl)-N-ethyl-ethane-1,2-diamine (1S)-1-(1,3-benzodioxol-5-yl)-N-…

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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 3.69 -49.8 3 4 1 49 263.361 6 ↓
Mid Mid (pH 6-8) 1.86 5.47 -133.83 4 4 2 51 264.369 6 ↓

Analogs

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Popular Name: 6-[[cyclopropylmethyl(ethyl)amino]methyl]-1,3-benzodioxol-5-ol 6-[[cyclopropylmethyl(ethyl)amin…

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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) 2.79 4.98 -37.23 2 4 1 43 250.318 5 ↓
Hi High (pH 8-9.5) 2.79 5.96 -30.11 1 4 0 46 249.31 5 ↓

Analogs

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Popular Name: (2S)-2-(1,3-benzodioxol-5-yl)-2-(cyclopropylmethylamino)propan-1-ol (2S)-2-(1,3-benzodioxol-5-yl)-2-…

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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) 2.25 3.33 -41.03 3 4 1 55 250.318 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(1,3-benzodioxol-5-yl)-2-(cyclopropylmethylamino)propan-1-ol (2R)-2-(1,3-benzodioxol-5-yl)-2-…

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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) 2.25 3.32 -41.04 3 4 1 55 250.318 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(1,3-benzodioxol-5-yl)-2-(cyclopropylmethylamino)ethanol (2S)-2-(1,3-benzodioxol-5-yl)-2-…

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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) 1.81 3 -43.55 3 4 1 55 236.291 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(1,3-benzodioxol-5-yl)-2-(cyclopropylmethylamino)ethanol (2R)-2-(1,3-benzodioxol-5-yl)-2-…

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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) 1.81 3 -43.27 3 4 1 55 236.291 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(7-chloro-1,3-benzodioxol-5-yl)-2-(cyclopropylmethylamino)ethanol (2S)-2-(7-chloro-1,3-benzodioxol…

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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 3.52 -45.45 3 4 1 55 270.736 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(7-chloro-1,3-benzodioxol-5-yl)-2-(cyclopropylmethylamino)ethanol (2R)-2-(7-chloro-1,3-benzodioxol…

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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 3.52 -45.08 3 4 1 55 270.736 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(7-bromo-1,3-benzodioxol-5-yl)-2-(cyclopropylmethylamino)ethanol (2S)-2-(7-bromo-1,3-benzodioxol-…

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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) 2.55 3.62 -45.19 3 4 1 55 315.187 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(7-bromo-1,3-benzodioxol-5-yl)-2-(cyclopropylmethylamino)ethanol (2R)-2-(7-bromo-1,3-benzodioxol-…

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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) 2.55 3.62 -44.76 3 4 1 55 315.187 5 ↓

Parameters Provided:

ring.id = 24252
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 = 24252 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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