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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: ethyl 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) 2.01 6.8 -36.92 2 5 1 46 296.435 4 ↓
Hi High (pH 8-9.5) 2.01 4.55 -6 1 5 0 45 295.427 4 ↓
Lo Low (pH 4.5-6) 2.01 7.88 -121.09 3 5 2 51 297.443 4 ↓

Analogs

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Popular Name: ethyl 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) 2.01 6.49 -37.83 2 5 1 46 296.435 4 ↓
Hi High (pH 8-9.5) 2.01 4.24 -5.89 1 5 0 45 295.427 4 ↓
Lo Low (pH 4.5-6) 2.01 7.63 -120.55 3 5 2 51 297.443 4 ↓

Analogs

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Popular Name: 1-[4-[[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]amino]-1-piperidyl]ethanone 1-[4-[[(1R,8aR)-1,2,3,5,6,7,8,8a…

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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) 0.92 6.04 -38.12 2 4 1 37 266.409 2 ↓
Hi High (pH 8-9.5) 0.92 3.79 -7.58 1 4 0 36 265.401 2 ↓
Lo Low (pH 4.5-6) 0.92 7.12 -121.49 3 4 2 41 267.417 2 ↓

Analogs

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Popular Name: 1-[4-[[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]amino]-1-piperidyl]ethanone 1-[4-[[(1S,8aR)-1,2,3,5,6,7,8,8a…

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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) 0.92 5.73 -38.51 2 4 1 37 266.409 2 ↓
Hi High (pH 8-9.5) 0.92 3.48 -7.54 1 4 0 36 265.401 2 ↓
Lo Low (pH 4.5-6) 0.92 6.86 -121.62 3 4 2 41 267.417 2 ↓

Analogs

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Popular Name: (1R,8aR)-N-(1-prop-2-ynyl-4-piperidyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (1R,8aR)-N-(1-prop-2-ynyl-4-pipe…

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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) 1.72 8.26 -79.48 3 3 2 21 263.429 3 ↓
Hi High (pH 8-9.5) 1.72 3.74 -2.62 1 3 0 19 261.413 3 ↓
Mid Mid (pH 6-8) 1.72 5.98 -31.4 2 3 1 20 262.421 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,8aR)-N-(1-prop-2-ynyl-4-piperidyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (1S,8aR)-N-(1-prop-2-ynyl-4-pipe…

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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) 1.72 7.92 -81.38 3 3 2 21 263.429 3 ↓
Hi High (pH 8-9.5) 1.72 3.4 -2.4 1 3 0 19 261.413 3 ↓
Mid Mid (pH 6-8) 1.72 5.65 -32.9 2 3 1 20 262.421 3 ↓

Analogs

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Popular Name: (1R,8aR)-N-[1-(3-methylbut-2-enyl)-4-piperidyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (1R,8aR)-N-[1-(3-methylbut-2-eny…

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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) 3.24 7.45 -29.83 2 3 1 20 292.491 4 ↓
Hi High (pH 8-9.5) 3.24 7.45 -33.69 2 3 1 20 292.491 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,8aR)-N-[1-(3-methylbut-2-enyl)-4-piperidyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (1S,8aR)-N-[1-(3-methylbut-2-eny…

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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) 3.24 7.12 -31.21 2 3 1 20 292.491 4 ↓
Hi High (pH 8-9.5) 3.24 7.11 -33.72 2 3 1 20 292.491 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]amino]piperidine-1-carboxamide 4-[[(1S,8aS)-1,2,3,5,6,7,8,8a-oc…

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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) 0.84 3.28 -38.5 4 5 1 63 267.397 2 ↓
Hi High (pH 8-9.5) 0.84 1.04 -9.4 3 5 0 62 266.389 2 ↓
Lo Low (pH 4.5-6) 0.84 4.52 -123.06 5 5 2 67 268.405 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]amino]piperidine-1-carboxamide 4-[[(1R,8aS)-1,2,3,5,6,7,8,8a-oc…

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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) 0.84 3.26 -40.51 4 5 1 63 267.397 2 ↓
Hi High (pH 8-9.5) 0.84 1 -9.06 3 5 0 62 266.389 2 ↓
Lo Low (pH 4.5-6) 0.84 4.24 -120.63 5 5 2 67 268.405 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,8aS)-N-[1-(2,2,2-trifluoroethyl)-4-piperidyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (1S,8aS)-N-[1-(2,2,2-trifluoroet…

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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) 2.49 5.84 -31.67 2 3 1 20 306.396 4 ↓
Hi High (pH 8-9.5) 2.49 3.59 -3.57 1 3 0 19 305.388 4 ↓
Mid Mid (pH 6-8) 2.49 7.95 -83.46 3 3 2 21 307.404 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,8aS)-N-[1-(2,2,2-trifluoroethyl)-4-piperidyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (1R,8aS)-N-[1-(2,2,2-trifluoroet…

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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) 2.49 5.81 -33.39 2 3 1 20 306.396 4 ↓
Hi High (pH 8-9.5) 2.49 3.55 -3.26 1 3 0 19 305.388 4 ↓
Mid Mid (pH 6-8) 2.49 7.92 -84.32 3 3 2 21 307.404 4 ↓

Parameters Provided:

ring.id = 557729
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 = 557729 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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