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

Analogs

45650239
45650239
45650241
45650241

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-propyl-pyrrolidin-3-amine (3R)-1-(2,2-difluoro-1,3-benzodi…

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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) 3.34 5.91 -50.27 2 4 1 38 285.314 4 ↓

Analogs

45650239
45650239
45650241
45650241

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-propyl-pyrrolidin-3-amine (3S)-1-(2,2-difluoro-1,3-benzodi…

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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) 3.34 5.94 -50.08 2 4 1 38 285.314 4 ↓

Analogs

45650239
45650239
45650241
45650241

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-ethyl-pyrrolidin-3-amine (3R)-1-(2,2-difluoro-1,3-benzodi…

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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 5.14 -49.17 2 4 1 38 271.287 3 ↓

Analogs

45650239
45650239
45650241
45650241

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-ethyl-pyrrolidin-3-amine (3S)-1-(2,2-difluoro-1,3-benzodi…

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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 5.17 -48.93 2 4 1 38 271.287 3 ↓

Analogs

45650239
45650239
45650241
45650241

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-methyl-pyrrolidin-3-amine (3R)-1-(2,2-difluoro-1,3-benzodi…

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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) 2.46 4.32 -50.24 2 4 1 38 257.26 2 ↓

Analogs

45650239
45650239
45650241
45650241

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-methyl-pyrrolidin-3-amine (3S)-1-(2,2-difluoro-1,3-benzodi…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.46 4.34 -49.92 2 4 1 38 257.26 2 ↓

Analogs

45650239
45650239
45650241
45650241

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)pyrrolidin-3-amine (3S)-1-(2,2-difluoro-1,3-benzodi…

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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) 1.55 2.53 -55.8 3 4 1 49 243.233 1 ↓

Analogs

45650239
45650239
45650241
45650241

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)pyrrolidin-3-amine (3R)-1-(2,2-difluoro-1,3-benzodi…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.55 2.54 -55.47 3 4 1 49 243.233 1 ↓

Analogs

45650512
45650512
45650513
45650513

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(1,3-benzodioxol-5-yl)-N-propyl-pyrrolidin-3-amine (3R)-1-(1,3-benzodioxol-5-yl)-N-…

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Activity (Go SEA)

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) 2.71 5.47 -48.13 2 4 1 38 249.334 4 ↓

Analogs

45650512
45650512
45650513
45650513

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(1,3-benzodioxol-5-yl)-N-propyl-pyrrolidin-3-amine (3S)-1-(1,3-benzodioxol-5-yl)-N-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.71 5.5 -47.86 2 4 1 38 249.334 4 ↓

Analogs

45650512
45650512
45650513
45650513
45651714
45651714
45651717
45651717

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(1,3-benzodioxol-5-yl)-N-ethyl-pyrrolidin-3-amine (3R)-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) 2.21 4.7 -47.09 2 4 1 38 235.307 3 ↓

Analogs

45650512
45650512
45650513
45650513
45651714
45651714
45651717
45651717

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(1,3-benzodioxol-5-yl)-N-ethyl-pyrrolidin-3-amine (3S)-1-(1,3-benzodioxol-5-yl)-N-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.21 4.73 -46.85 2 4 1 38 235.307 3 ↓

Analogs

45650512
45650512
45650513
45650513

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(1,3-benzodioxol-5-yl)-N-methyl-pyrrolidin-3-amine (3R)-1-(1,3-benzodioxol-5-yl)-N-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 3.89 -48.3 2 4 1 38 221.28 2 ↓

Analogs

45650512
45650512
45650513
45650513

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(1,3-benzodioxol-5-yl)-N-methyl-pyrrolidin-3-amine (3S)-1-(1,3-benzodioxol-5-yl)-N-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 3.91 -47.96 2 4 1 38 221.28 2 ↓

Parameters Provided:

ring.id = 551825
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 = 551825 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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