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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (2R)-2-(8-azaspiro[4.5]decan-8-yl)-2-[(3S)-tetrahydrofuran-3-yl]ethanamine (2R)-2-(8-azaspiro[4.5]decan-8-y…

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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) 1.51 5.02 -131.28 4 3 2 41 254.418 3 ↓
Hi High (pH 8-9.5) 1.51 3.59 -48.71 3 3 1 40 253.41 3 ↓
Mid Mid (pH 6-8) 1.51 4.64 -34.01 3 3 1 40 253.41 3 ↓

Analogs

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Popular Name: (2S)-2-(8-azaspiro[4.5]decan-8-yl)-2-[(3S)-tetrahydrofuran-3-yl]ethanamine (2S)-2-(8-azaspiro[4.5]decan-8-y…

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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) 1.51 4.9 -128.52 4 3 2 41 254.418 3 ↓
Hi High (pH 8-9.5) 1.51 3.44 -43.86 3 3 1 40 253.41 3 ↓
Mid Mid (pH 6-8) 1.51 4.43 -32.44 3 3 1 40 253.41 3 ↓

Analogs

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Popular Name: (2R)-2-(8-azaspiro[4.5]decan-8-yl)-2-[(3R)-tetrahydrofuran-3-yl]ethanamine (2R)-2-(8-azaspiro[4.5]decan-8-y…

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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) 1.51 5.98 -122.59 4 3 2 41 254.418 3 ↓
Hi High (pH 8-9.5) 1.51 4.55 -40.75 3 3 1 40 253.41 3 ↓
Mid Mid (pH 6-8) 1.51 5.43 -36.02 3 3 1 40 253.41 3 ↓

Analogs

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Popular Name: (2S)-2-(8-azaspiro[4.5]decan-8-yl)-2-[(3R)-tetrahydrofuran-3-yl]ethanamine (2S)-2-(8-azaspiro[4.5]decan-8-y…

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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) 1.51 5.06 -132.76 4 3 2 41 254.418 3 ↓
Hi High (pH 8-9.5) 1.51 3.21 -46.63 3 3 1 40 253.41 3 ↓
Mid Mid (pH 6-8) 1.51 4.64 -32.2 3 3 1 40 253.41 3 ↓

Analogs

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Popular Name: (3R)-3-(8-azaspiro[4.5]decan-8-ylmethyl)tetrahydrofuran-3-carbaldehyde (3R)-3-(8-azaspiro[4.5]decan-8-y…

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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) 2.23 7.15 -43.26 1 3 1 31 252.378 3 ↓
Hi High (pH 8-9.5) 2.23 5.45 -6.8 0 3 0 30 251.37 3 ↓

Analogs

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Popular Name: (3S)-3-(8-azaspiro[4.5]decan-8-ylmethyl)tetrahydrofuran-3-carbaldehyde (3S)-3-(8-azaspiro[4.5]decan-8-y…

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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) 2.23 7.06 -43.34 1 3 1 31 252.378 3 ↓
Hi High (pH 8-9.5) 2.23 5.11 -5.39 0 3 0 30 251.37 3 ↓

Analogs

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Popular Name: 1-[(3S)-3-(8-azaspiro[4.5]decan-8-ylmethyl)tetrahydrofuran-3-yl]-N-methyl-methanamine 1-[(3S)-3-(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) 2.20 7.73 -101.06 3 3 2 30 268.445 4 ↓
Mid Mid (pH 6-8) 2.20 6.53 -32.59 2 3 1 26 267.437 4 ↓
Mid Mid (pH 6-8) 2.20 6.13 -40.61 2 3 1 29 267.437 4 ↓

Analogs

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Popular Name: 1-[(3R)-3-(8-azaspiro[4.5]decan-8-ylmethyl)tetrahydrofuran-3-yl]-N-methyl-methanamine 1-[(3R)-3-(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) 2.20 7.49 -106.81 3 3 2 30 268.445 4 ↓
Mid Mid (pH 6-8) 2.20 5.8 -34.36 2 3 1 29 267.437 4 ↓
Mid Mid (pH 6-8) 2.20 6.06 -37.46 2 3 1 26 267.437 4 ↓

Analogs

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Popular Name: N-[[(3S)-3-(8-azaspiro[4.5]decan-8-ylmethyl)tetrahydrofuran-3-yl]methyl]ethanamine N-[[(3S)-3-(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) 2.23 8.6 -101.62 3 3 2 30 282.472 5 ↓
Mid Mid (pH 6-8) 2.23 7 -39.64 2 3 1 29 281.464 5 ↓
Mid Mid (pH 6-8) 2.23 7.44 -32.63 2 3 1 26 281.464 5 ↓

Analogs

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Popular Name: N-[[(3R)-3-(8-azaspiro[4.5]decan-8-ylmethyl)tetrahydrofuran-3-yl]methyl]ethanamine N-[[(3R)-3-(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) 2.23 8.35 -107.94 3 3 2 30 282.472 5 ↓
Mid Mid (pH 6-8) 2.23 6.67 -33.39 2 3 1 29 281.464 5 ↓
Mid Mid (pH 6-8) 2.23 6.98 -37.55 2 3 1 26 281.464 5 ↓

Analogs

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Popular Name: N-[[(3S)-3-(8-azaspiro[4.5]decan-8-ylmethyl)tetrahydrofuran-3-yl]methyl]propan-1-amine N-[[(3S)-3-(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) 2.73 9.35 -103.48 3 3 2 30 296.499 6 ↓
Hi High (pH 8-9.5) 2.73 8.2 -32.66 2 3 1 26 295.491 6 ↓
Mid Mid (pH 6-8) 2.73 7.75 -40.52 2 3 1 29 295.491 6 ↓

Analogs

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Popular Name: N-[[(3R)-3-(8-azaspiro[4.5]decan-8-ylmethyl)tetrahydrofuran-3-yl]methyl]propan-1-amine N-[[(3R)-3-(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) 2.73 9.1 -109.58 3 3 2 30 296.499 6 ↓
Hi High (pH 8-9.5) 2.73 7.75 -37.59 2 3 1 26 295.491 6 ↓
Mid Mid (pH 6-8) 2.73 7.42 -34.13 2 3 1 29 295.491 6 ↓

Analogs

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Popular Name: N-[[(3S)-3-(8-azaspiro[4.5]decan-8-ylmethyl)tetrahydrofuran-3-yl]methyl]propan-2-amine N-[[(3S)-3-(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) 2.87 9.1 -100.83 3 3 2 30 296.499 5 ↓
Mid Mid (pH 6-8) 2.87 7.51 -38.06 2 3 1 29 295.491 5 ↓

Analogs

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Popular Name: N-[[(3R)-3-(8-azaspiro[4.5]decan-8-ylmethyl)tetrahydrofuran-3-yl]methyl]propan-2-amine N-[[(3R)-3-(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) 2.87 8.87 -106.73 3 3 2 30 296.499 5 ↓
Mid Mid (pH 6-8) 2.87 7.19 -32.11 2 3 1 29 295.491 5 ↓

Analogs

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Popular Name: [(3R)-3-(8-azaspiro[4.5]decan-8-ylmethyl)tetrahydrofuran-3-yl]methanamine [(3R)-3-(8-azaspiro[4.5]decan-8-…

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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) 1.22 5.56 -111.86 4 3 2 41 254.418 3 ↓
Mid Mid (pH 6-8) 1.22 5.23 -37.17 3 3 1 40 253.41 3 ↓
Mid Mid (pH 6-8) 1.22 3.89 -39.09 3 3 1 40 253.41 3 ↓

Analogs

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Popular Name: [(3S)-3-(8-azaspiro[4.5]decan-8-ylmethyl)tetrahydrofuran-3-yl]methanamine [(3S)-3-(8-azaspiro[4.5]decan-8-…

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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) 1.22 5.36 -117.51 4 3 2 41 254.418 3 ↓
Mid Mid (pH 6-8) 1.22 5.05 -36.98 3 3 1 40 253.41 3 ↓
Mid Mid (pH 6-8) 1.22 4.29 -46.18 3 3 1 40 253.41 3 ↓

Analogs

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Popular Name: (3R)-3-(8-azaspiro[4.5]decan-8-ylmethyl)tetrahydrofuran-3-carboxylic (3R)-3-(8-azaspiro[4.5]decan-8-y…

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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) 1.66 7.82 -40.8 1 4 0 54 267.369 3 ↓

Analogs

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Popular Name: (3S)-3-(8-azaspiro[4.5]decan-8-ylmethyl)tetrahydrofuran-3-carboxylic (3S)-3-(8-azaspiro[4.5]decan-8-y…

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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) 1.66 7.91 -35.27 1 4 0 54 267.369 3 ↓

Analogs

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Popular Name: [(3S)-3-(8-azaspiro[4.5]decan-8-ylmethyl)tetrahydrofuran-3-yl]methanol [(3S)-3-(8-azaspiro[4.5]decan-8-…

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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) 1.78 4.74 -41.05 2 3 1 34 254.394 3 ↓

Analogs

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Popular Name: [(3R)-3-(8-azaspiro[4.5]decan-8-ylmethyl)tetrahydrofuran-3-yl]methanol [(3R)-3-(8-azaspiro[4.5]decan-8-…

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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) 1.78 4.71 -39.49 2 3 1 34 254.394 3 ↓

Parameters Provided:

ring.id = 317651
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 = 317651 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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