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Analogs

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Popular Name: (1R)-N-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]-1-(3-methyl-2-thienyl)ethanamine (1R)-N-[[(1R,5S)-8-methyl-8-azab…

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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) 3.51 8.84 -94.96 3 2 2 21 280.481 4 ↓
Hi High (pH 8-9.5) 3.51 8.02 -32.35 2 2 1 16 279.473 4 ↓

Analogs

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Popular Name: (1S)-N-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]-1-(3-methyl-2-thienyl)ethanamine (1S)-N-[[(1R,5S)-8-methyl-8-azab…

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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) 3.51 8.65 -94.24 3 2 2 21 280.481 4 ↓
Hi High (pH 8-9.5) 3.51 7.81 -32.43 2 2 1 16 279.473 4 ↓

Analogs

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Popular Name: (1R)-1-(5-ethyl-2-thienyl)-N-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]ethanamine (1R)-1-(5-ethyl-2-thienyl)-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) 3.93 9.92 -94.92 3 2 2 21 294.508 5 ↓

Analogs

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Popular Name: (1S)-1-(5-ethyl-2-thienyl)-N-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]ethanamine (1S)-1-(5-ethyl-2-thienyl)-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) 3.93 9.75 -94.12 3 2 2 21 294.508 5 ↓

Analogs

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Popular Name: N-[(5-bromo-2-thienyl)methyl]-1-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanamine N-[(5-bromo-2-thienyl)methyl]-1-…

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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) 3.51 8.55 -102.34 3 2 2 21 331.323 4 ↓
Hi High (pH 8-9.5) 3.51 7.63 -33.65 2 2 1 16 330.315 4 ↓

Analogs

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Popular Name: (1S)-N-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]-1-(2-thienyl)propan-1-amine (1S)-N-[[(1R,5S)-8-methyl-8-azab…

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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) 3.64 9.47 -91.81 3 2 2 21 280.481 5 ↓
Hi High (pH 8-9.5) 3.64 8.07 -31.51 2 2 1 16 279.473 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]-1-(2-thienyl)propan-1-amine (1R)-N-[[(1R,5S)-8-methyl-8-azab…

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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) 3.64 8.96 -95.73 3 2 2 21 280.481 5 ↓
Hi High (pH 8-9.5) 3.64 8.13 -32.02 2 2 1 16 279.473 5 ↓

Analogs

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Popular Name: N-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]-1-(5-methyl-2-thienyl)methanamine N-[[(1R,5S)-8-methyl-8-azabicycl…

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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) 2.80 8.62 -96.95 3 2 2 21 266.454 4 ↓
Hi High (pH 8-9.5) 2.80 7.29 -35.23 2 2 1 16 265.446 4 ↓

Analogs

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Popular Name: N-[(5-chloro-2-thienyl)methyl]-1-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanamine N-[(5-chloro-2-thienyl)methyl]-1…

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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) 3.38 8.44 -102.14 3 2 2 21 286.872 4 ↓
Hi High (pH 8-9.5) 3.38 7.52 -33.54 2 2 1 16 285.864 4 ↓

Analogs

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Popular Name: (1S)-N-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]-1-(2-thienyl)ethanamine (1S)-N-[[(1R,5S)-8-methyl-8-azab…

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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) 3.13 8.62 -95.09 3 2 2 21 266.454 4 ↓
Hi High (pH 8-9.5) 3.13 7.41 -31.63 2 2 1 16 265.446 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]-1-(2-thienyl)ethanamine (1R)-N-[[(1R,5S)-8-methyl-8-azab…

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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) 3.13 8.61 -95.05 3 2 2 21 266.454 4 ↓
Hi High (pH 8-9.5) 3.13 7.43 -32.78 2 2 1 16 265.446 4 ↓

Analogs

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Popular Name: 1-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-N-(2-thienylmethyl)methanamine 1-[(1S,5R)-8-methyl-8-azabicyclo…

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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) 2.58 7.82 -96.79 3 2 2 21 252.427 4 ↓
Hi High (pH 8-9.5) 2.58 6.9 -32.53 2 2 1 16 251.419 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]-1-(3-methyl-2-thienyl)methanamine N-[[(1R,5S)-8-methyl-8-azabicycl…

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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) 2.95 8.36 -97.58 3 2 2 21 266.454 4 ↓
Hi High (pH 8-9.5) 2.95 7.02 -35.87 2 2 1 16 265.446 4 ↓

Analogs

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Popular Name: (1R)-N-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]-1-(5-methyl-2-thienyl)ethanamine (1R)-N-[[(1R,5S)-8-methyl-8-azab…

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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) 3.36 9.13 -94.8 3 2 2 21 280.481 4 ↓
Hi High (pH 8-9.5) 3.36 8.32 -32.07 2 2 1 16 279.473 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]-1-(5-methyl-2-thienyl)ethanamine (1S)-N-[[(1R,5S)-8-methyl-8-azab…

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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) 3.36 9.44 -95.15 3 2 2 21 280.481 4 ↓
Hi High (pH 8-9.5) 3.36 8.24 -31.75 2 2 1 16 279.473 4 ↓

Analogs

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Popular Name: (1S)-1-(5-bromo-2-thienyl)-N-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]ethanamine (1S)-1-(5-bromo-2-thienyl)-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) 4.07 8.86 -98.6 3 2 2 21 345.35 4 ↓
Hi High (pH 8-9.5) 4.07 8.01 -33.08 2 2 1 16 344.342 4 ↓

Analogs

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Popular Name: (1R)-1-(5-bromo-2-thienyl)-N-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]ethanamine (1R)-1-(5-bromo-2-thienyl)-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) 4.07 9.03 -99.79 3 2 2 21 345.35 4 ↓
Hi High (pH 8-9.5) 4.07 8.22 -32.97 2 2 1 16 344.342 4 ↓

Analogs

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Popular Name: N-[(4-bromo-2-thienyl)methyl]-1-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanamine N-[(4-bromo-2-thienyl)methyl]-1-…

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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) 3.31 8.43 -101.19 3 2 2 21 331.323 4 ↓
Hi High (pH 8-9.5) 3.31 7.51 -32.48 2 2 1 16 330.315 4 ↓

Analogs

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Popular Name: (1S)-1-(5-chloro-2-thienyl)-N-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]ethanamine (1S)-1-(5-chloro-2-thienyl)-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) 3.94 8.76 -98.41 3 2 2 21 300.899 4 ↓
Hi High (pH 8-9.5) 3.94 7.9 -33.01 2 2 1 16 299.891 4 ↓

Analogs

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Popular Name: (1R)-1-(5-chloro-2-thienyl)-N-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]ethanamine (1R)-1-(5-chloro-2-thienyl)-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) 3.94 8.92 -99.47 3 2 2 21 300.899 4 ↓
Hi High (pH 8-9.5) 3.94 8.12 -32.97 2 2 1 16 299.891 4 ↓

Analogs

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Popular Name: (1S)-1-(3-bromo-2-thienyl)-N-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]ethanamine (1S)-1-(3-bromo-2-thienyl)-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) 3.87 8.63 -94.34 3 2 2 21 345.35 4 ↓
Hi High (pH 8-9.5) 3.87 7.78 -32.78 2 2 1 16 344.342 4 ↓

Analogs

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Popular Name: (1R)-1-(3-bromo-2-thienyl)-N-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]ethanamine (1R)-1-(3-bromo-2-thienyl)-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) 3.87 8.81 -93.4 3 2 2 21 345.35 4 ↓
Hi High (pH 8-9.5) 3.87 8 -31.41 2 2 1 16 344.342 4 ↓

Analogs

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Popular Name: (1S)-2-methyl-N-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]-1-(2-thienyl)propan-1-amine (1S)-2-methyl-N-[[(1R,5S)-8-meth…

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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) 3.88 9.74 -97.03 3 2 2 21 294.508 5 ↓
Hi High (pH 8-9.5) 3.88 8.79 -31.49 2 2 1 16 293.5 5 ↓

Analogs

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Popular Name: (1R)-2-methyl-N-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]-1-(2-thienyl)propan-1-amine (1R)-2-methyl-N-[[(1R,5S)-8-meth…

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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) 3.88 9.48 -96.28 3 2 2 21 294.508 5 ↓
Hi High (pH 8-9.5) 3.88 8.66 -32.11 2 2 1 16 293.5 5 ↓

Parameters Provided:

ring.id = 520569
filter.purchasability = annotated
page.format = targets
page.num = 1

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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 = 520569 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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