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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: 2-pyridazin-3-ylsulfanyl-3H-benzimidazol-5-amine 2-pyridazin-3-ylsulfanyl-3H-benz…

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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) 1.49 3.1 -15.82 3 5 0 80 243.295 2 ↓
Lo Low (pH 4.5-6) 1.49 3.28 -25.15 4 5 1 82 244.303 2 ↓

Analogs

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Popular Name: 2-(6-chloropyridazin-3-yl)sulfanyl-6-ethoxy-1H-benzimidazole 2-(6-chloropyridazin-3-yl)sulfan…

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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) 4.06 5.86 -13.94 1 5 0 64 306.778 4 ↓

Analogs

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Popular Name: 2-(6-chloropyridazin-3-yl)sulfanyl-1H-benzimidazole 2-(6-chloropyridazin-3-yl)sulfan…

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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) 3.66 5.64 -14.81 1 4 0 54 262.725 2 ↓

Analogs

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Popular Name: 2-(6-chloropyridazin-3-yl)sulfanyl-6-methoxy-1H-benzimidazole 2-(6-chloropyridazin-3-yl)sulfan…

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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) 3.69 4.93 -14.21 1 5 0 64 292.751 3 ↓

Analogs

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Popular Name: 2-(6-chloropyridazin-3-yl)sulfanyl-5-methyl-1H-benzimidazole 2-(6-chloropyridazin-3-yl)sulfan…

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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) 4.08 6.31 -14.51 1 4 0 54 276.752 2 ↓
Lo Low (pH 4.5-6) 4.08 6.49 -27.01 2 4 1 56 277.76 2 ↓

Analogs

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Popular Name: 6-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]pyridazine-3-carboxylic 6-[(5-methyl-1H-benzimidazol-2-y…

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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 6.4 -58.97 1 6 -1 95 285.308 3 ↓
Lo Low (pH 4.5-6) 2.70 6.57 -50.74 2 6 0 96 286.316 3 ↓

Analogs

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Popular Name: [5,6-dimethyl-3-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]pyridazin-4-yl]methanamine [5,6-dimethyl-3-[(5-methyl-1H-be…

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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) 2.99 4.41 -16.6 3 5 0 80 299.403 3 ↓
Mid Mid (pH 6-8) 2.99 4.82 -63.07 4 5 1 82 300.411 3 ↓
Lo Low (pH 4.5-6) 2.99 5 -96.78 5 5 2 83 301.419 3 ↓

Analogs

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Popular Name: 5,6-dimethyl-3-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]pyridazine-4-carbonitrile 5,6-dimethyl-3-[(5-methyl-1H-ben…

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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) 3.56 7.19 -12.93 1 5 0 78 295.371 2 ↓
Lo Low (pH 4.5-6) 3.56 7.37 -24.86 2 5 1 80 296.379 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(6-methylpyridazin-3-yl)sulfanyl-3H-benzimidazol-5-amine 2-(6-methylpyridazin-3-yl)sulfan…

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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) 1.74 3.7 -16.02 3 5 0 80 257.322 2 ↓

Parameters Provided:

ring.id = 26058
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 = 26058 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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