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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: (1R,2S)-2-[[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]amino]cyclohexanecarbonitrile (1R,2S)-2-[[(1R,8aR)-1,2,3,5,6,7…

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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) 2.70 7.17 -35.99 2 3 1 40 248.394 2 ↓
Hi High (pH 8-9.5) 2.70 4.92 -8.15 1 3 0 39 247.386 2 ↓
Mid Mid (pH 6-8) 2.70 8.25 -118.33 3 3 2 45 249.402 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 2.70 7.59 -32.64 2 3 1 40 248.394 2 ↓
Hi High (pH 8-9.5) 2.70 5.34 -6.51 1 3 0 39 247.386 2 ↓
Mid Mid (pH 6-8) 2.70 8.5 -109.95 3 3 2 45 249.402 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 2.70 7.26 -32.72 2 3 1 40 248.394 2 ↓
Hi High (pH 8-9.5) 2.70 5.02 -3.84 1 3 0 39 247.386 2 ↓
Mid Mid (pH 6-8) 2.70 8.32 -113.02 3 3 2 45 249.402 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 2.70 7.28 -36.1 2 3 1 40 248.394 2 ↓
Hi High (pH 8-9.5) 2.70 5.03 -5.99 1 3 0 39 247.386 2 ↓
Mid Mid (pH 6-8) 2.70 8.27 -118.53 3 3 2 45 249.402 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,8aR)-N-[(1S,3R)-3-methoxycyclohexyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (1R,8aR)-N-[(1S,3R)-3-methoxycyc…

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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) 2.28 6.04 -30.85 2 3 1 26 253.41 3 ↓
Hi High (pH 8-9.5) 2.28 3.81 -2.18 1 3 0 24 252.402 3 ↓
Mid Mid (pH 6-8) 2.28 5.01 -36.01 2 3 1 29 253.41 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,8aR)-N-[(1S,3S)-3-methoxycyclohexyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (1R,8aR)-N-[(1S,3S)-3-methoxycyc…

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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) 2.28 6.19 -29.43 2 3 1 26 253.41 3 ↓
Hi High (pH 8-9.5) 2.28 3.94 -1.78 1 3 0 24 252.402 3 ↓
Mid Mid (pH 6-8) 2.28 5.17 -33.78 2 3 1 29 253.41 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,8aR)-N-[(1R,3R)-3-methoxycyclohexyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (1R,8aR)-N-[(1R,3R)-3-methoxycyc…

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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) 2.28 6.36 -29.29 2 3 1 26 253.41 3 ↓
Hi High (pH 8-9.5) 2.28 4.1 -1.97 1 3 0 24 252.402 3 ↓
Mid Mid (pH 6-8) 2.28 5.17 -33.91 2 3 1 29 253.41 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,8aR)-N-[(1R,3S)-3-methoxycyclohexyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (1R,8aR)-N-[(1R,3S)-3-methoxycyc…

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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) 2.28 6.21 -30.85 2 3 1 26 253.41 3 ↓
Hi High (pH 8-9.5) 2.28 3.96 -2.33 1 3 0 24 252.402 3 ↓
Mid Mid (pH 6-8) 2.28 5.02 -36.38 2 3 1 29 253.41 3 ↓

Analogs

44687202
44687202
44687204
44687204
44687206
44687206
44687208
44687208

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,8aR)-N-[(1S,2R)-2-methoxycyclohexyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (1R,8aR)-N-[(1S,2R)-2-methoxycyc…

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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) 2.51 6.25 -29.82 2 3 1 26 253.41 3 ↓
Hi High (pH 8-9.5) 2.51 4.01 -2.23 1 3 0 24 252.402 3 ↓
Lo Low (pH 4.5-6) 2.51 7.59 -106.44 3 3 2 30 254.418 3 ↓

Analogs

44687202
44687202
44687204
44687204
44687206
44687206
44687208
44687208

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,8aR)-N-[(1S,2S)-2-methoxycyclohexyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (1R,8aR)-N-[(1S,2S)-2-methoxycyc…

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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) 2.51 6.2 -29.07 2 3 1 26 253.41 3 ↓
Hi High (pH 8-9.5) 2.51 3.96 -1.49 1 3 0 24 252.402 3 ↓
Lo Low (pH 4.5-6) 2.51 7.71 -102.02 3 3 2 30 254.418 3 ↓

Analogs

44687202
44687202
44687204
44687204
44687206
44687206
44687208
44687208

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,8aR)-N-[(1R,2R)-2-methoxycyclohexyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (1R,8aR)-N-[(1R,2R)-2-methoxycyc…

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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) 2.51 6.27 -29.11 2 3 1 26 253.41 3 ↓
Hi High (pH 8-9.5) 2.51 4.01 -2.32 1 3 0 24 252.402 3 ↓
Lo Low (pH 4.5-6) 2.51 7.4 -102.88 3 3 2 30 254.418 3 ↓

Analogs

44687202
44687202
44687204
44687204
44687206
44687206
44687208
44687208

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,8aR)-N-[(1R,2S)-2-methoxycyclohexyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (1R,8aR)-N-[(1R,2S)-2-methoxycyc…

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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) 2.51 6.41 -29.61 2 3 1 26 253.41 3 ↓
Hi High (pH 8-9.5) 2.51 4.16 -1.33 1 3 0 24 252.402 3 ↓
Lo Low (pH 4.5-6) 2.51 7.53 -106.42 3 3 2 30 254.418 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.90 2.94 -32.05 3 3 1 40 239.383 2 ↓
Mid Mid (pH 6-8) 1.90 4.06 -29.31 3 3 1 37 239.383 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.90 2.79 -32.02 3 3 1 40 239.383 2 ↓
Mid Mid (pH 6-8) 1.90 3.93 -28.9 3 3 1 37 239.383 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.90 3.17 -31.52 3 3 1 40 239.383 2 ↓
Mid Mid (pH 6-8) 1.90 3.84 -29 3 3 1 37 239.383 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.90 2.96 -32.13 3 3 1 40 239.383 2 ↓
Mid Mid (pH 6-8) 1.90 3.9 -29.4 3 3 1 37 239.383 2 ↓

Parameters Provided:

ring.id = 156234
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 = 156234 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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