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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-4-cyclopropyl-thiazol-5-yl]methanamine [2-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-…

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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) 3.28 8.51 -44.71 3 3 1 44 292.472 3 ↓
Mid Mid (pH 6-8) 3.28 8.12 -4.53 2 3 0 42 291.464 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-4-cyclopropyl-thiazol-5-yl]methanamine [2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-…

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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) 3.28 7.91 -45.64 3 3 1 44 292.472 3 ↓
Mid Mid (pH 6-8) 3.28 7.52 -4.98 2 3 0 42 291.464 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-4-cyclopropyl-thiazol-5-yl]methanamine [2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-…

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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) 3.28 7.44 -46.96 3 3 1 44 292.472 3 ↓
Mid Mid (pH 6-8) 3.28 7.04 -4.15 2 3 0 42 291.464 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-4-cyclopropyl-thiazol-5-yl]methanamine [2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-…

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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) 3.28 8.54 -44.97 3 3 1 44 292.472 3 ↓
Mid Mid (pH 6-8) 3.28 8.14 -4.56 2 3 0 42 291.464 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-4-cyclopropyl-thiazol-5-yl]-N-methyl-m 1-[2-[(4aR,8aS)-3,4,4a,5,6,7,8,8…

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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) 3.65 10.43 -39.16 2 3 1 33 306.499 4 ↓
Hi High (pH 8-9.5) 3.65 8.99 -3.97 1 3 0 28 305.491 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-4-cyclopropyl-thiazol-5-yl]-N-methyl-m 1-[2-[(4aS,8aS)-3,4,4a,5,6,7,8,8…

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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) 3.65 9.27 -41.32 2 3 1 33 306.499 4 ↓
Hi High (pH 8-9.5) 3.65 7.83 -3.73 1 3 0 28 305.491 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-4-cyclopropyl-thiazole-5-carbaldehyde 2-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-o…

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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 10.22 -8.04 0 3 0 33 290.432 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-4-cyclopropyl-thiazole-5-carbaldehyde 2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-o…

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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 9.62 -8.43 0 3 0 33 290.432 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-4-cyclopropyl-thiazole-5-carbaldehyde 2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-o…

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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 9.14 -7.4 0 3 0 33 290.432 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-4-cyclopropyl-thiazole-5-carbaldehyde 2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-o…

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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 10.24 -8.07 0 3 0 33 290.432 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-4-cyclopropyl-thiazole-5-carboxylic 2-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-o…

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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) 3.67 11.02 -54.24 0 4 -1 56 305.423 3 ↓
Mid Mid (pH 6-8) 3.67 10.55 -34.24 1 4 0 58 306.431 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-4-cyclopropyl-thiazole-5-carboxylic 2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-o…

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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) 3.67 10.41 -54.31 0 4 -1 56 305.423 3 ↓
Mid Mid (pH 6-8) 3.67 10.75 -38.01 1 4 0 58 306.431 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-4-cyclopropyl-thiazole-5-carboxylic 2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-o…

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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) 3.67 9.94 -52.04 0 4 -1 56 305.423 3 ↓
Mid Mid (pH 6-8) 3.67 10.24 -36.2 1 4 0 58 306.431 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-4-cyclopropyl-thiazole-5-carboxylic 2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-o…

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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) 3.67 11.04 -54.16 0 4 -1 56 305.423 3 ↓
Mid Mid (pH 6-8) 3.67 10.55 -34.26 1 4 0 58 306.431 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-4-cyclopropyl-thiazol-5-yl]methanol [2-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-…

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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) 3.43 7.8 -6.92 1 3 0 36 292.448 3 ↓
Mid Mid (pH 6-8) 3.43 7.35 -22.02 2 3 1 38 293.456 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-4-cyclopropyl-thiazol-5-yl]methanol [2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-…

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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) 3.43 7.2 -7.27 1 3 0 36 292.448 3 ↓
Mid Mid (pH 6-8) 3.43 7.55 -22.06 2 3 1 38 293.456 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-4-cyclopropyl-thiazol-5-yl]methanol [2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-…

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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) 3.43 6.73 -6.43 1 3 0 36 292.448 3 ↓
Mid Mid (pH 6-8) 3.43 7.05 -22.07 2 3 1 38 293.456 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-4-cyclopropyl-thiazol-5-yl]methanol [2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-…

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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) 3.43 7.83 -6.74 1 3 0 36 292.448 3 ↓
Mid Mid (pH 6-8) 3.43 7.35 -21.9 2 3 1 38 293.456 3 ↓

Parameters Provided:

ring.id = 304509
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 = 304509 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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