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Analogs

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Popular Name: (1R,8R)-N-(thiazol-5-ylmethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (1R,8R)-N-(thiazol-5-ylmethyl)-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) 1.21 4.43 -35.91 2 3 1 29 224.353 3 ↓
Hi High (pH 8-9.5) 1.21 1.93 -3.92 1 3 0 28 223.345 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,8R)-N-(thiazol-5-ylmethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (1S,8R)-N-(thiazol-5-ylmethyl)-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) 1.21 3.79 -35.3 2 3 1 29 224.353 3 ↓
Hi High (pH 8-9.5) 1.21 1.28 -4.26 1 3 0 28 223.345 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,8R)-N-[(2-tert-butylthiazol-5-yl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (1R,8R)-N-[(2-tert-butylthiazol-…

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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) 2.64 7.02 -35.58 2 3 1 29 280.461 4 ↓
Hi High (pH 8-9.5) 2.64 4.52 -3.79 1 3 0 28 279.453 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,8R)-N-[(2-tert-butylthiazol-5-yl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (1S,8R)-N-[(2-tert-butylthiazol-…

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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) 2.64 6.38 -34.96 2 3 1 29 280.461 4 ↓
Hi High (pH 8-9.5) 2.64 3.86 -4.22 1 3 0 28 279.453 4 ↓

Analogs

44686261
44686261
44686263
44686263

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Popular Name: N,N-diethyl-5-[[[(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]amino]methyl]thiazol-2-amine N,N-diethyl-5-[[[(1R,8R)-2,3,5,6…

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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) 2.18 8.06 -35.85 2 4 1 33 295.476 6 ↓
Lo Low (pH 4.5-6) 2.18 8.52 -71.93 3 4 2 34 296.484 6 ↓

Analogs

44686261
44686261
44686263
44686263

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-diethyl-5-[[[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]amino]methyl]thiazol-2-amine N,N-diethyl-5-[[[(1S,8R)-2,3,5,6…

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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) 2.18 7.43 -35.16 2 4 1 33 295.476 6 ↓
Lo Low (pH 4.5-6) 2.18 7.88 -71.97 3 4 2 34 296.484 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,8R)-N-[(1R)-1-(4-methylthiazol-5-yl)ethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (1R,8R)-N-[(1R)-1-(4-methylthiaz…

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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) 1.99 5.56 -37.59 2 3 1 29 252.407 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,8R)-N-[(1S)-1-(4-methylthiazol-5-yl)ethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (1R,8R)-N-[(1S)-1-(4-methylthiaz…

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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) 1.99 5.42 -36.51 2 3 1 29 252.407 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,8R)-N-[(1R)-1-(4-methylthiazol-5-yl)ethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (1S,8R)-N-[(1R)-1-(4-methylthiaz…

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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) 1.99 4.83 -37.37 2 3 1 29 252.407 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,8R)-N-[(1S)-1-(4-methylthiazol-5-yl)ethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (1S,8R)-N-[(1S)-1-(4-methylthiaz…

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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) 1.99 4.93 -35.75 2 3 1 29 252.407 3 ↓

Analogs

44687338
44687338
44687340
44687340
44687343
44687343
44687346
44687346

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,8R)-N-[(1R)-1-(2-tert-butyl-4-methyl-thiazol-5-yl)ethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-a (1R,8R)-N-[(1R)-1-(2-tert-butyl-…

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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) 3.42 8.16 -37.32 2 3 1 29 308.515 4 ↓

Analogs

44687338
44687338
44687340
44687340
44687343
44687343
44687346
44687346

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,8R)-N-[(1S)-1-(2-tert-butyl-4-methyl-thiazol-5-yl)ethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-a (1R,8R)-N-[(1S)-1-(2-tert-butyl-…

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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) 3.42 8.01 -36.23 2 3 1 29 308.515 4 ↓

Analogs

44687338
44687338
44687340
44687340
44687343
44687343
44687346
44687346

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,8R)-N-[(1R)-1-(2-tert-butyl-4-methyl-thiazol-5-yl)ethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-a (1S,8R)-N-[(1R)-1-(2-tert-butyl-…

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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) 3.42 7.42 -37.13 2 3 1 29 308.515 4 ↓

Analogs

44687338
44687338
44687340
44687340
44687343
44687343
44687346
44687346

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,8R)-N-[(1S)-1-(2-tert-butyl-4-methyl-thiazol-5-yl)ethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-a (1S,8R)-N-[(1S)-1-(2-tert-butyl-…

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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) 3.42 7.52 -35.43 2 3 1 29 308.515 4 ↓

Parameters Provided:

ring.id = 153745
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 = 153745 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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