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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-(3-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) 1.92 5.23 -44.35 4 4 1 69 285.396 4 ↓
Hi High (pH 8-9.5) 1.92 4.76 -8.3 3 4 0 68 284.388 4 ↓
Lo Low (pH 4.5-6) 1.92 5.48 -106.37 5 4 2 70 286.404 4 ↓

Analogs

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Popular Name: (2S)-2-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]-2-(3-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) 1.92 5.16 -44.17 4 4 1 69 285.396 4 ↓
Hi High (pH 8-9.5) 1.92 4.79 -7.95 3 4 0 68 284.388 4 ↓
Lo Low (pH 4.5-6) 1.92 5.31 -109.39 5 4 2 70 286.404 4 ↓

Analogs

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Popular Name: (1S,2R)-1-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]-1-(3-pyridyl)propan-2-amine (1S,2R)-1-[(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) 2.32 5.78 -47.38 4 4 1 69 299.423 4 ↓
Hi High (pH 8-9.5) 2.32 6.02 -7.53 3 4 0 68 298.415 4 ↓
Lo Low (pH 4.5-6) 2.32 5.52 -100.45 5 4 2 70 300.431 4 ↓

Analogs

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Popular Name: (1R,2R)-1-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]-1-(3-pyridyl)propan-2-amine (1R,2R)-1-[(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) 2.32 5.56 -43 4 4 1 69 299.423 4 ↓
Hi High (pH 8-9.5) 2.32 5.31 -7.8 3 4 0 68 298.415 4 ↓
Lo Low (pH 4.5-6) 2.32 6.02 -103.77 5 4 2 70 300.431 4 ↓

Analogs

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Popular Name: (1S,2S)-1-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]-1-(3-pyridyl)propan-2-amine (1S,2S)-1-[(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) 2.32 5.49 -43.47 4 4 1 69 299.423 4 ↓
Hi High (pH 8-9.5) 2.32 5.96 -8.42 3 4 0 68 298.415 4 ↓
Lo Low (pH 4.5-6) 2.32 5.94 -105.76 5 4 2 70 300.431 4 ↓

Analogs

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Popular Name: (1R,2S)-1-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]-1-(3-pyridyl)propan-2-amine (1R,2S)-1-[(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) 2.32 5.68 -47.26 4 4 1 69 299.423 4 ↓
Hi High (pH 8-9.5) 2.32 5.7 -7.49 3 4 0 68 298.415 4 ↓
Lo Low (pH 4.5-6) 2.32 6 -98.37 5 4 2 70 300.431 4 ↓

Analogs

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Popular Name: N-ethyl-3-[(5-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]pyridin-2-amine N-ethyl-3-[(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 8.06 -8.4 2 4 0 54 298.415 5 ↓
Mid Mid (pH 6-8) 3.65 8.43 -34.45 3 4 1 55 299.423 5 ↓
Lo Low (pH 4.5-6) 3.65 8.81 -77.4 4 4 2 56 300.431 5 ↓

Analogs

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Popular Name: N-methyl-3-[(5-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]pyridin-2-amine N-methyl-3-[(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 7.24 -8.69 2 4 0 54 284.388 4 ↓
Mid Mid (pH 6-8) 3.28 7.63 -34.47 3 4 1 55 285.396 4 ↓
Lo Low (pH 4.5-6) 3.28 8.01 -77.55 4 4 2 56 286.404 4 ↓

Analogs

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Popular Name: 3-[(5-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]pyridin-2-amine 3-[(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 6.05 -8.54 3 4 0 68 270.361 3 ↓
Mid Mid (pH 6-8) 2.90 6.52 -35.98 4 4 1 69 271.369 3 ↓
Lo Low (pH 4.5-6) 2.90 6.9 -79.42 5 4 2 70 272.377 3 ↓

Analogs

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Popular Name: 5-[(5-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]pyridin-2-amine 5-[(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) 2.96 5.92 -9 3 4 0 68 270.361 3 ↓
Mid Mid (pH 6-8) 2.96 6.4 -36.14 4 4 1 69 271.369 3 ↓
Lo Low (pH 4.5-6) 2.96 6.78 -79.57 5 4 2 70 272.377 3 ↓

Analogs

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Popular Name: N-methyl-5-[(5-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]pyridin-2-amine N-methyl-5-[(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) 3.33 6.83 -9.09 2 4 0 54 284.388 4 ↓
Mid Mid (pH 6-8) 3.33 7.31 -34.55 3 4 1 55 285.396 4 ↓
Lo Low (pH 4.5-6) 3.33 7.69 -78.59 4 4 2 56 286.404 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-5-[(5-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]pyridin-2-amine N-ethyl-5-[(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) 3.71 7.64 -8.66 2 4 0 54 298.415 5 ↓
Mid Mid (pH 6-8) 3.71 8.11 -34.2 3 4 1 55 299.423 5 ↓
Lo Low (pH 4.5-6) 3.71 8.49 -79.2 4 4 2 56 300.431 5 ↓

Analogs

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Popular Name: [3-[(5-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-2-pyridyl]hydrazine [3-[(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 5.91 -9.42 4 5 0 80 285.376 4 ↓
Lo Low (pH 4.5-6) 2.66 6.77 -78.46 6 5 2 82 287.392 4 ↓
Lo Low (pH 4.5-6) 2.66 6.29 -31.77 5 5 1 81 286.384 4 ↓

Analogs

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Popular Name: [5-[(5-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-2-pyridyl]hydrazine [5-[(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) 2.71 5.83 -10.16 4 5 0 80 285.376 4 ↓
Lo Low (pH 4.5-6) 2.71 6.68 -78.56 6 5 2 82 287.392 4 ↓
Lo Low (pH 4.5-6) 2.71 6.21 -30.84 5 5 1 81 286.384 4 ↓

Analogs

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Popular Name: 2-(3-pyridylmethylsulfanyl)-3H-benzimidazol-5-amine 2-(3-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) 1.76 4.39 -9.17 3 4 0 68 256.334 3 ↓

Parameters Provided:

ring.id = 216382
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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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 = 216382 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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