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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: (2R)-2-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]-2-(4-pyridyl)ethanamine (2R)-2-[(5-methyl-1H-benzimidazo…

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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) 1.87 5.3 -45.4 4 4 1 69 285.396 4 ↓
Hi High (pH 8-9.5) 1.87 4.95 -7.64 3 4 0 68 284.388 4 ↓
Lo Low (pH 4.5-6) 1.87 5.53 -108.85 5 4 2 70 286.404 4 ↓

Analogs

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Popular Name: (2S)-2-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]-2-(4-pyridyl)ethanamine (2S)-2-[(5-methyl-1H-benzimidazo…

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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) 1.87 5.2 -45.35 4 4 1 69 285.396 4 ↓
Hi High (pH 8-9.5) 1.87 4.9 -8.58 3 4 0 68 284.388 4 ↓
Lo Low (pH 4.5-6) 1.87 5.37 -112.03 5 4 2 70 286.404 4 ↓

Analogs

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Popular Name: N-ethyl-4-[(5-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]pyridin-2-amine N-ethyl-4-[(5-methyl-1H-benzimid…

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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) 3.65 7.65 -8.51 2 4 0 54 298.415 5 ↓
Lo Low (pH 4.5-6) 3.65 8.51 -77.29 4 4 2 56 300.431 5 ↓
Lo Low (pH 4.5-6) 3.65 8.03 -30.75 3 4 1 55 299.423 5 ↓

Analogs

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Popular Name: N-methyl-4-[(5-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]pyridin-2-amine N-methyl-4-[(5-methyl-1H-benzimi…

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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) 3.28 6.85 -8.91 2 4 0 54 284.388 4 ↓
Lo Low (pH 4.5-6) 3.28 7.23 -31 3 4 1 55 285.396 4 ↓
Lo Low (pH 4.5-6) 3.28 7.7 -76.99 4 4 2 56 286.404 4 ↓

Analogs

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Popular Name: 4-[(5-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]pyridin-2-amine 4-[(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) 2.90 5.95 -8.84 3 4 0 68 270.361 3 ↓
Lo Low (pH 4.5-6) 2.90 6.42 -36.21 4 4 1 69 271.369 3 ↓
Lo Low (pH 4.5-6) 2.90 6.33 -30.94 4 4 1 69 271.369 3 ↓

Analogs

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Popular Name: [4-[(5-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-2-pyridyl]hydrazine [4-[(5-methyl-1H-benzimidazol-2-…

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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) 2.66 5.85 -9.8 4 5 0 80 285.376 4 ↓
Lo Low (pH 4.5-6) 2.66 6.23 -32.4 5 5 1 81 286.384 4 ↓

Analogs

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Popular Name: 2-(4-pyridylmethylsulfanyl)-3H-benzimidazol-5-amine 2-(4-pyridylmethylsulfanyl)-3H-b…

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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) 1.71 4.41 -8.96 3 4 0 68 256.334 3 ↓

Parameters Provided:

ring.id = 216384
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 = 216384 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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