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

47490568
47490568

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-[(1R)-1-[(3S)-1-ethyl-3-piperidyl]ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine (4R)-N-[(1R)-1-[(3S)-1-ethyl-3-p…

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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) 1.48 8.49 -101.86 3 4 2 39 292.471 4 ↓
Mid Mid (pH 6-8) 1.48 7.54 -36.43 2 4 1 34 291.463 4 ↓

Analogs

47490568
47490568

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-[(1R)-1-[(3R)-1-ethyl-3-piperidyl]ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine (4R)-N-[(1R)-1-[(3R)-1-ethyl-3-p…

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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) 1.48 8.61 -100.8 3 4 2 39 292.471 4 ↓
Mid Mid (pH 6-8) 1.48 7.75 -36.29 2 4 1 34 291.463 4 ↓

Analogs

47490568
47490568

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-1-methyl-N-[(1S)-1-[(3R)-1-methyl-3-piperidyl]ethyl]-4,5,6,7-tetrahydroindazol-4-amine (4R)-1-methyl-N-[(1S)-1-[(3R)-1-…

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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) 1.11 7.11 -100.5 3 4 2 39 278.444 3 ↓
Mid Mid (pH 6-8) 1.11 4.77 -39.4 2 4 1 38 277.436 3 ↓
Mid Mid (pH 6-8) 1.11 6.79 -36.14 2 4 1 34 277.436 3 ↓

Analogs

47490568
47490568

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-1-methyl-N-[(1R)-1-[(3R)-1-methyl-3-piperidyl]ethyl]-4,5,6,7-tetrahydroindazol-4-amine (4R)-1-methyl-N-[(1R)-1-[(3R)-1-…

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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) 1.11 7.96 -100.39 3 4 2 39 278.444 3 ↓
Mid Mid (pH 6-8) 1.11 5.46 -39.26 2 4 1 38 277.436 3 ↓
Mid Mid (pH 6-8) 1.11 7.09 -37.37 2 4 1 34 277.436 3 ↓

Analogs

47490568
47490568

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-1-methyl-N-[(1S)-1-[(3S)-1-methyl-3-piperidyl]ethyl]-4,5,6,7-tetrahydroindazol-4-amine (4R)-1-methyl-N-[(1S)-1-[(3S)-1-…

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Activity (Go SEA)

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) 1.11 7.16 -98.86 3 4 2 39 278.444 3 ↓
Mid Mid (pH 6-8) 1.11 4.72 -40.24 2 4 1 38 277.436 3 ↓
Mid Mid (pH 6-8) 1.11 6.59 -36.25 2 4 1 34 277.436 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-1-methyl-N-[(1R)-1-[(3S)-1-methyl-3-piperidyl]ethyl]-4,5,6,7-tetrahydroindazol-4-amine (4R)-1-methyl-N-[(1R)-1-[(3S)-1-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.11 7.85 -101.4 3 4 2 39 278.444 3 ↓
Mid Mid (pH 6-8) 1.11 5.59 -38.57 2 4 1 38 277.436 3 ↓
Mid Mid (pH 6-8) 1.11 6.89 -37.49 2 4 1 34 277.436 3 ↓

Parameters Provided:

ring.id = 141687
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 = 141687 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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