UCSF
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Analogs

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Popular Name: (2R,5S)-5-(8-azaspiro[4.5]decan-8-ylmethyl)tetrahydrofuran-2-carboxylic (2R,5S)-5-(8-azaspiro[4.5]decan-…

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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) 1.84 9.24 -56.15 1 4 0 54 267.369 3 ↓

Analogs

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Popular Name: (2R,5R)-5-(8-azaspiro[4.5]decan-8-ylmethyl)tetrahydrofuran-2-carboxylic (2R,5R)-5-(8-azaspiro[4.5]decan-…

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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) 1.84 9.27 -55.91 1 4 0 54 267.369 3 ↓

Analogs

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Popular Name: (2S,5S)-5-(8-azaspiro[4.5]decan-8-ylmethyl)tetrahydrofuran-2-carboxylic (2S,5S)-5-(8-azaspiro[4.5]decan-…

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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) 1.84 9.22 -57.34 1 4 0 54 267.369 3 ↓

Analogs

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Popular Name: (2S,5R)-5-(8-azaspiro[4.5]decan-8-ylmethyl)tetrahydrofuran-2-carboxylic (2S,5R)-5-(8-azaspiro[4.5]decan-…

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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) 1.84 9.2 -56.2 1 4 0 54 267.369 3 ↓

Analogs

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Popular Name: 1-[(2S,5R)-5-(8-azaspiro[4.5]decan-8-ylmethyl)tetrahydrofuran-2-yl]-N-methyl-methanamine 1-[(2S,5R)-5-(8-azaspiro[4.5]dec…

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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) 2.38 7.94 -91.91 3 3 2 30 268.445 4 ↓
Hi High (pH 8-9.5) 2.38 5.63 -34.24 2 3 1 29 267.437 4 ↓

Analogs

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Popular Name: 1-[(2R,5R)-5-(8-azaspiro[4.5]decan-8-ylmethyl)tetrahydrofuran-2-yl]-N-methyl-methanamine 1-[(2R,5R)-5-(8-azaspiro[4.5]dec…

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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) 2.38 8.04 -92.48 3 3 2 30 268.445 4 ↓
Hi High (pH 8-9.5) 2.38 5.74 -33.6 2 3 1 29 267.437 4 ↓

Analogs

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Popular Name: 1-[(2S,5S)-5-(8-azaspiro[4.5]decan-8-ylmethyl)tetrahydrofuran-2-yl]-N-methyl-methanamine 1-[(2S,5S)-5-(8-azaspiro[4.5]dec…

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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) 2.38 7.94 -92.02 3 3 2 30 268.445 4 ↓
Hi High (pH 8-9.5) 2.38 5.62 -33.76 2 3 1 29 267.437 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R,5S)-5-(8-azaspiro[4.5]decan-8-ylmethyl)tetrahydrofuran-2-yl]-N-methyl-methanamine 1-[(2R,5S)-5-(8-azaspiro[4.5]dec…

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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) 2.38 7.9 -92.31 3 3 2 30 268.445 4 ↓
Hi High (pH 8-9.5) 2.38 5.58 -33.78 2 3 1 29 267.437 4 ↓

Analogs

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Popular Name: N-[[(2S,5R)-5-(8-azaspiro[4.5]decan-8-ylmethyl)tetrahydrofuran-2-yl]methyl]ethanamine N-[[(2S,5R)-5-(8-azaspiro[4.5]de…

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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) 2.40 8.8 -91.51 3 3 2 30 282.472 5 ↓
Hi High (pH 8-9.5) 2.40 6.5 -33.36 2 3 1 29 281.464 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R,5R)-5-(8-azaspiro[4.5]decan-8-ylmethyl)tetrahydrofuran-2-yl]methyl]ethanamine N-[[(2R,5R)-5-(8-azaspiro[4.5]de…

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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) 2.40 8.89 -92.1 3 3 2 30 282.472 5 ↓
Hi High (pH 8-9.5) 2.40 6.58 -32.88 2 3 1 29 281.464 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S,5S)-5-(8-azaspiro[4.5]decan-8-ylmethyl)tetrahydrofuran-2-yl]methyl]ethanamine N-[[(2S,5S)-5-(8-azaspiro[4.5]de…

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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) 2.40 8.84 -92.05 3 3 2 30 282.472 5 ↓
Hi High (pH 8-9.5) 2.40 6.58 -32.83 2 3 1 29 281.464 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R,5S)-5-(8-azaspiro[4.5]decan-8-ylmethyl)tetrahydrofuran-2-yl]methyl]ethanamine N-[[(2R,5S)-5-(8-azaspiro[4.5]de…

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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) 2.40 8.79 -92.03 3 3 2 30 282.472 5 ↓
Hi High (pH 8-9.5) 2.40 6.51 -32.98 2 3 1 29 281.464 5 ↓

Analogs

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Popular Name: N-[[(2S,5R)-5-(8-azaspiro[4.5]decan-8-ylmethyl)tetrahydrofuran-2-yl]methyl]propan-1-amine N-[[(2S,5R)-5-(8-azaspiro[4.5]de…

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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) 2.90 9.55 -93.14 3 3 2 30 296.499 6 ↓
Hi High (pH 8-9.5) 2.90 7.26 -34.07 2 3 1 29 295.491 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R,5R)-5-(8-azaspiro[4.5]decan-8-ylmethyl)tetrahydrofuran-2-yl]methyl]propan-1-amine N-[[(2R,5R)-5-(8-azaspiro[4.5]de…

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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) 2.90 9.62 -93.9 3 3 2 30 296.499 6 ↓
Hi High (pH 8-9.5) 2.90 7.32 -33.61 2 3 1 29 295.491 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S,5S)-5-(8-azaspiro[4.5]decan-8-ylmethyl)tetrahydrofuran-2-yl]methyl]propan-1-amine N-[[(2S,5S)-5-(8-azaspiro[4.5]de…

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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) 2.90 9.55 -93.39 3 3 2 30 296.499 6 ↓
Hi High (pH 8-9.5) 2.90 7.22 -33.85 2 3 1 29 295.491 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R,5S)-5-(8-azaspiro[4.5]decan-8-ylmethyl)tetrahydrofuran-2-yl]methyl]propan-1-amine N-[[(2R,5S)-5-(8-azaspiro[4.5]de…

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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) 2.90 9.5 -93.52 3 3 2 30 296.499 6 ↓
Hi High (pH 8-9.5) 2.90 7.17 -33.93 2 3 1 29 295.491 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S,5R)-5-(8-azaspiro[4.5]decan-8-ylmethyl)tetrahydrofuran-2-yl]methyl]propan-2-amine N-[[(2S,5R)-5-(8-azaspiro[4.5]de…

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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) 3.05 9.32 -90.8 3 3 2 30 296.499 5 ↓
Hi High (pH 8-9.5) 3.05 7.03 -31.85 2 3 1 29 295.491 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R,5R)-5-(8-azaspiro[4.5]decan-8-ylmethyl)tetrahydrofuran-2-yl]methyl]propan-2-amine N-[[(2R,5R)-5-(8-azaspiro[4.5]de…

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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) 3.05 9.41 -91.68 3 3 2 30 296.499 5 ↓
Hi High (pH 8-9.5) 3.05 7.12 -31.92 2 3 1 29 295.491 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S,5S)-5-(8-azaspiro[4.5]decan-8-ylmethyl)tetrahydrofuran-2-yl]methyl]propan-2-amine N-[[(2S,5S)-5-(8-azaspiro[4.5]de…

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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) 3.05 9.37 -91.31 3 3 2 30 296.499 5 ↓
Hi High (pH 8-9.5) 3.05 7.11 -31.4 2 3 1 29 295.491 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R,5S)-5-(8-azaspiro[4.5]decan-8-ylmethyl)tetrahydrofuran-2-yl]methyl]propan-2-amine N-[[(2R,5S)-5-(8-azaspiro[4.5]de…

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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) 3.05 9.28 -91.3 3 3 2 30 296.499 5 ↓
Hi High (pH 8-9.5) 3.05 6.95 -32.14 2 3 1 29 295.491 5 ↓

Analogs

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Popular Name: [(2R,5S)-5-(8-azaspiro[4.5]decan-8-ylmethyl)tetrahydrofuran-2-yl]methanamine [(2R,5S)-5-(8-azaspiro[4.5]decan…

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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) 1.39 6 -96.71 4 3 2 41 254.418 3 ↓
Hi High (pH 8-9.5) 1.39 3.69 -38 3 3 1 40 253.41 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,5R)-5-(8-azaspiro[4.5]decan-8-ylmethyl)tetrahydrofuran-2-yl]methanamine [(2R,5R)-5-(8-azaspiro[4.5]decan…

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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) 1.39 6.09 -97.35 4 3 2 41 254.418 3 ↓
Hi High (pH 8-9.5) 1.39 3.79 -38.27 3 3 1 40 253.41 3 ↓

Analogs

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Popular Name: [(2S,5S)-5-(8-azaspiro[4.5]decan-8-ylmethyl)tetrahydrofuran-2-yl]methanamine [(2S,5S)-5-(8-azaspiro[4.5]decan…

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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) 1.39 6.01 -96.73 4 3 2 41 254.418 3 ↓
Hi High (pH 8-9.5) 1.39 3.71 -38.6 3 3 1 40 253.41 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,5R)-5-(8-azaspiro[4.5]decan-8-ylmethyl)tetrahydrofuran-2-yl]methanamine [(2S,5R)-5-(8-azaspiro[4.5]decan…

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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) 1.39 6 -97.08 4 3 2 41 254.418 3 ↓
Hi High (pH 8-9.5) 1.39 3.74 -38.64 3 3 1 40 253.41 3 ↓

Parameters Provided:

ring.id = 318471
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 = 318471 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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