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

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Popular Name: (4R)-N-(1H-imidazol-5-ylmethyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine (4R)-N-(1H-imidazol-5-ylmethyl)-…

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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) -0.40 5.01 -40.25 3 5 1 63 232.311 3 ↓

Analogs

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Popular Name: (4S)-N-(1H-imidazol-5-ylmethyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine (4S)-N-(1H-imidazol-5-ylmethyl)-…

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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) -0.40 5.04 -40.14 3 5 1 63 232.311 3 ↓

Analogs

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Popular Name: 2-[(4R)-4-(1H-imidazol-5-ylmethylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol 2-[(4R)-4-(1H-imidazol-5-ylmethy…

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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) -1.03 2.53 -42.28 4 6 1 83 262.337 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4S)-4-(1H-imidazol-5-ylmethylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol 2-[(4S)-4-(1H-imidazol-5-ylmethy…

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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) -1.03 2.51 -42.19 4 6 1 83 262.337 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-1-methyl-N-[(2-methyl-1H-imidazol-4-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine (4R)-1-methyl-N-[(2-methyl-1H-im…

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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) -0.31 4.87 -40.24 3 5 1 63 246.338 3 ↓
Lo Low (pH 4.5-6) -0.31 5.31 -107.07 4 5 2 64 247.346 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-1-methyl-N-[(2-methyl-1H-imidazol-4-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine (4S)-1-methyl-N-[(2-methyl-1H-im…

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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) -0.31 4.86 -40.04 3 5 1 63 246.338 3 ↓
Lo Low (pH 4.5-6) -0.31 5.3 -106.9 4 5 2 64 247.346 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4R)-4-[(2-methyl-1H-imidazol-4-yl)methylamino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol 2-[(4R)-4-[(2-methyl-1H-imidazol…

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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) -0.94 2.39 -42.3 4 6 1 83 276.364 5 ↓
Lo Low (pH 4.5-6) -0.94 2.82 -109.74 5 6 2 85 277.372 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4S)-4-[(2-methyl-1H-imidazol-4-yl)methylamino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol 2-[(4S)-4-[(2-methyl-1H-imidazol…

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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) -0.94 2.37 -42.18 4 6 1 83 276.364 5 ↓
Lo Low (pH 4.5-6) -0.94 2.81 -110.1 5 6 2 85 277.372 5 ↓

Parameters Provided:

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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 = 152754 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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