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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: (1S,2S)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)cycloheptanamine (1S,2S)-2-(6,8-dihydro-5H-imidaz…

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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 4.92 -92.89 4 4 2 50 250.39 2 ↓
Hi High (pH 8-9.5) 0.92 4.46 -55.04 3 4 1 49 249.382 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)cycloheptanamine (1S,2R)-2-(6,8-dihydro-5H-imidaz…

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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 4.8 -94 4 4 2 50 250.39 2 ↓
Hi High (pH 8-9.5) 0.92 4.33 -54.09 3 4 1 49 249.382 2 ↓

Analogs

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Popular Name: (1R,2R)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-N-methyl-cycloheptanamine (1R,2R)-2-(6,8-dihydro-5H-imidaz…

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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) 1.82 7.02 -85.62 3 4 2 39 264.417 3 ↓
Hi High (pH 8-9.5) 1.82 6.56 -49 2 4 1 38 263.409 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-N-methyl-cycloheptanamine (1S,2R)-2-(6,8-dihydro-5H-imidaz…

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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) 1.82 6.94 -88.01 3 4 2 39 264.417 3 ↓
Hi High (pH 8-9.5) 1.82 6.48 -48.37 2 4 1 38 263.409 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-N-methyl-cycloheptanamine (1R,2S)-2-(6,8-dihydro-5H-imidaz…

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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) 1.82 7.08 -87.69 3 4 2 39 264.417 3 ↓
Hi High (pH 8-9.5) 1.82 6.61 -48.05 2 4 1 38 263.409 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-N-methyl-cycloheptanamine (1S,2S)-2-(6,8-dihydro-5H-imidaz…

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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) 1.82 7.06 -86.61 3 4 2 39 264.417 3 ↓
Hi High (pH 8-9.5) 1.82 6.59 -46.9 2 4 1 38 263.409 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-N-ethyl-cycloheptanamine (1R,2R)-2-(6,8-dihydro-5H-imidaz…

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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 7.87 -84.9 3 4 2 39 278.444 4 ↓
Hi High (pH 8-9.5) 2.20 7.41 -47.46 2 4 1 38 277.436 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-N-ethyl-cycloheptanamine (1S,2R)-2-(6,8-dihydro-5H-imidaz…

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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 7.77 -86.89 3 4 2 39 278.444 4 ↓
Hi High (pH 8-9.5) 2.20 7.3 -46.87 2 4 1 38 277.436 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-N-ethyl-cycloheptanamine (1R,2S)-2-(6,8-dihydro-5H-imidaz…

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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 7.91 -86.46 3 4 2 39 278.444 4 ↓
Hi High (pH 8-9.5) 2.20 7.44 -46.65 2 4 1 38 277.436 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-N-ethyl-cycloheptanamine (1S,2S)-2-(6,8-dihydro-5H-imidaz…

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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 7.9 -85.71 3 4 2 39 278.444 4 ↓
Hi High (pH 8-9.5) 2.20 7.43 -45.74 2 4 1 38 277.436 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-N-propyl-cycloheptanamine (1R,2R)-2-(6,8-dihydro-5H-imidaz…

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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 8.63 -86.41 3 4 2 39 292.471 5 ↓
Hi High (pH 8-9.5) 2.70 8.17 -48.37 2 4 1 38 291.463 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-N-propyl-cycloheptanamine (1S,2R)-2-(6,8-dihydro-5H-imidaz…

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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 8.53 -88.56 3 4 2 39 292.471 5 ↓
Hi High (pH 8-9.5) 2.70 8.07 -47.81 2 4 1 38 291.463 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-N-propyl-cycloheptanamine (1R,2S)-2-(6,8-dihydro-5H-imidaz…

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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 8.67 -88.06 3 4 2 39 292.471 5 ↓
Hi High (pH 8-9.5) 2.70 8.21 -47.61 2 4 1 38 291.463 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-N-propyl-cycloheptanamine (1S,2S)-2-(6,8-dihydro-5H-imidaz…

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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 8.66 -87.22 3 4 2 39 292.471 5 ↓
Hi High (pH 8-9.5) 2.70 8.19 -46.68 2 4 1 38 291.463 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)cycloheptanol (1S,2S)-2-(6,8-dihydro-5H-imidaz…

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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) 1.41 4.29 -28.47 2 4 1 43 250.366 2 ↓
Hi High (pH 8-9.5) 1.41 3.83 -6.85 1 4 0 41 249.358 2 ↓
Lo Low (pH 4.5-6) 1.41 5.82 -42.13 2 4 1 42 250.366 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)cycloheptanol (1S,2R)-2-(6,8-dihydro-5H-imidaz…

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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) 1.41 4.6 -27.3 2 4 1 43 250.366 2 ↓
Hi High (pH 8-9.5) 1.41 4.14 -7.93 1 4 0 41 249.358 2 ↓
Lo Low (pH 4.5-6) 1.41 5.91 -42.24 2 4 1 42 250.366 2 ↓

Parameters Provided:

ring.id = 99809
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 = 99809 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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