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Analogs

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

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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) 3.50 8.38 -31.59 2 2 1 16 279.473 4 ↓
Lo Low (pH 4.5-6) 3.50 9.1 -98.42 3 2 2 21 280.481 4 ↓

Analogs

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

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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) 3.50 7.8 -32.66 2 2 1 16 279.473 4 ↓
Lo Low (pH 4.5-6) 3.50 8.77 -101.74 3 2 2 21 280.481 4 ↓

Analogs

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Popular Name: methyl methyl

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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) 2.20 6.2 -31.81 2 4 1 46 309.455 6 ↓
Hi High (pH 8-9.5) 2.20 7.48 -30.54 2 4 1 43 309.455 6 ↓
Lo Low (pH 4.5-6) 2.20 8.55 -91.8 3 4 2 47 310.463 6 ↓

Analogs

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Popular Name: (3S)-3-[[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]amino]-3-(2-thienyl)propanoic (3S)-3-[[(1S,5R)-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) 1.89 7.43 -49.48 2 4 0 57 294.42 5 ↓
Mid Mid (pH 6-8) 1.89 6.11 -29.4 2 4 0 60 294.42 5 ↓
Lo Low (pH 4.5-6) 1.89 8.46 -68.81 3 4 1 61 295.428 5 ↓

Analogs

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

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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) 3.50 8.09 -35.7 2 2 1 20 279.473 4 ↓
Lo Low (pH 4.5-6) 3.50 8.1 -98.01 3 2 2 21 280.481 4 ↓

Analogs

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

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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) 4.01 6.72 -37.88 2 2 1 20 293.5 5 ↓
Lo Low (pH 4.5-6) 4.01 8.57 -101.1 3 2 2 21 294.508 5 ↓

Analogs

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

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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) 1.69 5.31 -108.9 4 3 2 35 295.496 5 ↓

Analogs

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

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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) 2.11 5.1 -109.9 4 3 2 35 315.914 4 ↓

Analogs

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

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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) 3.25 7.63 -31.36 2 2 1 16 265.446 4 ↓
Lo Low (pH 4.5-6) 3.25 8.5 -97.82 3 2 2 21 266.454 4 ↓

Analogs

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

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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) 3.25 7.25 -32.49 2 2 1 16 265.446 4 ↓
Lo Low (pH 4.5-6) 3.25 8.25 -101.13 3 2 2 21 266.454 4 ↓

Parameters Provided:

ring.id = 134019
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 = 134019 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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