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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,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]amino]cyclohexanecarbonitrile (1R,2S)-2-[[(1R,8R)-2,3,5,6,7,8-…

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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) 2.19 6.63 -39.71 2 3 1 40 234.367 2 ↓
Hi High (pH 8-9.5) 2.19 4.14 -7.14 1 3 0 39 233.359 2 ↓
Mid Mid (pH 6-8) 2.19 7.4 -114.56 3 3 2 45 235.375 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-[[(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]amino]cyclohexanecarbonitrile (1R,2R)-2-[[(1R,8R)-2,3,5,6,7,8-…

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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) 2.19 7.05 -35.88 2 3 1 40 234.367 2 ↓
Hi High (pH 8-9.5) 2.19 4.55 -5.91 1 3 0 39 233.359 2 ↓
Mid Mid (pH 6-8) 2.19 7.66 -108.92 3 3 2 45 235.375 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[[(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]amino]cyclohexanecarbonitrile (1S,2S)-2-[[(1R,8R)-2,3,5,6,7,8-…

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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) 2.19 6.74 -33.75 2 3 1 40 234.367 2 ↓
Hi High (pH 8-9.5) 2.19 4.25 -4.29 1 3 0 39 233.359 2 ↓
Mid Mid (pH 6-8) 2.19 7.25 -107.93 3 3 2 45 235.375 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[[(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]amino]cyclohexanecarbonitrile (1S,2R)-2-[[(1R,8R)-2,3,5,6,7,8-…

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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) 2.19 6.74 -38.05 2 3 1 40 234.367 2 ↓
Hi High (pH 8-9.5) 2.19 4.24 -5.63 1 3 0 39 233.359 2 ↓
Mid Mid (pH 6-8) 2.19 4.95 -45.02 2 3 1 44 234.367 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,8R)-N-[(1S,3R)-3-methoxycyclohexyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (1R,8R)-N-[(1S,3R)-3-methoxycycl…

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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) 1.77 3.95 -38.46 2 3 1 29 239.383 3 ↓
Hi High (pH 8-9.5) 1.77 3.03 -1.87 1 3 0 24 238.375 3 ↓
Mid Mid (pH 6-8) 1.77 6.43 -105.89 3 3 2 30 240.391 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,8R)-N-[(1S,3S)-3-methoxycyclohexyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (1R,8R)-N-[(1S,3S)-3-methoxycycl…

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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) 1.77 4.09 -35.97 2 3 1 29 239.383 3 ↓
Hi High (pH 8-9.5) 1.77 3.17 -1.97 1 3 0 24 238.375 3 ↓
Mid Mid (pH 6-8) 1.77 6.58 -102.35 3 3 2 30 240.391 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,8R)-N-[(1R,3R)-3-methoxycyclohexyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (1R,8R)-N-[(1R,3R)-3-methoxycycl…

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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) 1.77 4.08 -36.03 2 3 1 29 239.383 3 ↓
Hi High (pH 8-9.5) 1.77 3.32 -2.05 1 3 0 24 238.375 3 ↓
Mid Mid (pH 6-8) 1.77 6.57 -102.36 3 3 2 30 240.391 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,8R)-N-[(1R,3S)-3-methoxycyclohexyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (1R,8R)-N-[(1R,3S)-3-methoxycycl…

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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) 1.77 3.94 -38.32 2 3 1 29 239.383 3 ↓
Hi High (pH 8-9.5) 1.77 3.18 -1.96 1 3 0 24 238.375 3 ↓
Mid Mid (pH 6-8) 1.77 6.43 -106.64 3 3 2 30 240.391 3 ↓

Analogs

44687202
44687202
44687204
44687204
44687206
44687206
44687208
44687208

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,8R)-N-[(1S,2R)-2-methoxycyclohexyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (1R,8R)-N-[(1S,2R)-2-methoxycycl…

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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 5.72 -32.28 2 3 1 26 239.383 3 ↓
Lo Low (pH 4.5-6) 2.01 4.23 -34.6 2 3 1 29 239.383 3 ↓
Lo Low (pH 4.5-6) 2.01 6.72 -103.26 3 3 2 30 240.391 3 ↓

Analogs

44687202
44687202
44687204
44687204
44687206
44687206
44687208
44687208

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,8R)-N-[(1S,2S)-2-methoxycyclohexyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (1R,8R)-N-[(1S,2S)-2-methoxycycl…

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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 5.67 -30.67 2 3 1 26 239.383 3 ↓
Lo Low (pH 4.5-6) 2.01 3.69 -33.27 2 3 1 29 239.383 3 ↓
Lo Low (pH 4.5-6) 2.01 6.17 -99.99 3 3 2 30 240.391 3 ↓

Analogs

44687202
44687202
44687204
44687204
44687206
44687206
44687208
44687208

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,8R)-N-[(1R,2R)-2-methoxycyclohexyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (1R,8R)-N-[(1R,2R)-2-methoxycycl…

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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 5.72 -31.63 2 3 1 26 239.383 3 ↓
Lo Low (pH 4.5-6) 2.01 4.08 -33.63 2 3 1 29 239.383 3 ↓
Lo Low (pH 4.5-6) 2.01 6.56 -100.81 3 3 2 30 240.391 3 ↓

Analogs

44687202
44687202
44687204
44687204
44687206
44687206
44687208
44687208

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,8R)-N-[(1R,2S)-2-methoxycyclohexyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (1R,8R)-N-[(1R,2S)-2-methoxycycl…

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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 5.88 -31.66 2 3 1 26 239.383 3 ↓
Lo Low (pH 4.5-6) 2.01 4.2 -34.79 2 3 1 29 239.383 3 ↓
Lo Low (pH 4.5-6) 2.01 6.68 -102.82 3 3 2 30 240.391 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[[(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]amino]cyclohexanol (1S,2R)-2-[[(1R,8R)-2,3,5,6,7,8-…

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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) 1.39 1.85 -34.2 3 3 1 40 225.356 2 ↓
Mid Mid (pH 6-8) 1.39 3.53 -31.42 3 3 1 37 225.356 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-[[(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]amino]cyclohexanol (1R,2R)-2-[[(1R,8R)-2,3,5,6,7,8-…

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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) 1.39 1.74 -33.32 3 3 1 40 225.356 2 ↓
Mid Mid (pH 6-8) 1.39 3.38 -31.66 3 3 1 37 225.356 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[[(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]amino]cyclohexanol (1S,2S)-2-[[(1R,8R)-2,3,5,6,7,8-…

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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) 1.39 1.35 -33.04 3 3 1 40 225.356 2 ↓
Mid Mid (pH 6-8) 1.39 3.31 -30.66 3 3 1 37 225.356 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-[[(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]amino]cyclohexanol (1R,2S)-2-[[(1R,8R)-2,3,5,6,7,8-…

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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) 1.39 1.88 -34.02 3 3 1 40 225.356 2 ↓
Mid Mid (pH 6-8) 1.39 3.37 -32.09 3 3 1 37 225.356 2 ↓

Parameters Provided:

ring.id = 156238
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 = 156238 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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