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

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]benzimidazol-5-amine 1-[[(2R)-1-ethylpyrrolidin-2-yl]…

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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) 1.34 7.71 -38.05 3 4 1 48 245.35 3 ↓
Hi High (pH 8-9.5) 1.34 6.12 -8.57 2 4 0 47 244.342 3 ↓
Lo Low (pH 4.5-6) 1.34 8.19 -89.67 4 4 2 50 246.358 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]benzimidazol-5-amine 1-[[(2S)-1-ethylpyrrolidin-2-yl]…

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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) 1.34 7.43 -39.84 3 4 1 48 245.35 3 ↓
Hi High (pH 8-9.5) 1.34 5.54 -8.21 2 4 0 47 244.342 3 ↓
Lo Low (pH 4.5-6) 1.34 7.91 -95.52 4 4 2 50 246.358 3 ↓

Analogs

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Popular Name: 1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-methyl-benzimidazol-5-amine 1-[[(2R)-1-ethylpyrrolidin-2-yl]…

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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) 1.43 7.46 -38.57 3 4 1 48 259.377 3 ↓
Hi High (pH 8-9.5) 1.43 5.41 -9.22 2 4 0 47 258.369 3 ↓
Mid Mid (pH 6-8) 1.43 7.9 -84.64 4 4 2 50 260.385 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methyl-benzimidazol-5-amine 1-[[(2S)-1-ethylpyrrolidin-2-yl]…

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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) 1.43 7.42 -39.04 3 4 1 48 259.377 3 ↓
Hi High (pH 8-9.5) 1.43 5.94 -8.94 2 4 0 47 258.369 3 ↓
Mid Mid (pH 6-8) 1.43 7.86 -87.53 4 4 2 50 260.385 3 ↓

Analogs

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Popular Name: 2-ethyl-1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]benzimidazol-5-amine 2-ethyl-1-[[(2S)-1-ethylpyrrolid…

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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) 2.00 8.08 -38.66 3 4 1 48 273.404 4 ↓
Hi High (pH 8-9.5) 2.00 6.04 -8.87 2 4 0 47 272.396 4 ↓
Mid Mid (pH 6-8) 2.00 8.38 -83.06 4 4 2 50 274.412 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-ethyl-1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]benzimidazol-5-amine 2-ethyl-1-[[(2R)-1-ethylpyrrolid…

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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) 2.00 7.93 -38.67 3 4 1 48 273.404 4 ↓
Hi High (pH 8-9.5) 2.00 7.22 -8.96 2 4 0 47 272.396 4 ↓
Mid Mid (pH 6-8) 2.00 8.49 -84.23 4 4 2 50 274.412 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-propyl-benzimidazol-5-amine 1-[[(2S)-1-ethylpyrrolidin-2-yl]…

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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) 2.51 8.18 -46.05 3 4 1 48 287.431 5 ↓
Hi High (pH 8-9.5) 2.51 5.8 -8.3 2 4 0 47 286.423 5 ↓
Mid Mid (pH 6-8) 2.51 8.34 -87.94 4 4 2 50 288.439 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-propyl-benzimidazol-5-amine 1-[[(2R)-1-ethylpyrrolidin-2-yl]…

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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) 2.51 8.71 -38.74 3 4 1 48 287.431 5 ↓
Hi High (pH 8-9.5) 2.51 8.01 -8.82 2 4 0 47 286.423 5 ↓
Mid Mid (pH 6-8) 2.51 9.27 -85.09 4 4 2 50 288.439 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-isopropyl-benzimidazol-5-amine 1-[[(2R)-1-ethylpyrrolidin-2-yl]…

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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) 2.49 8.51 -38.67 3 4 1 48 287.431 4 ↓
Hi High (pH 8-9.5) 2.49 6.43 -8.55 2 4 0 47 286.423 4 ↓
Mid Mid (pH 6-8) 2.49 9.06 -83.31 4 4 2 50 288.439 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-isopropyl-benzimidazol-5-amine 1-[[(2S)-1-ethylpyrrolidin-2-yl]…

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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) 2.49 8.53 -38.29 3 4 1 48 287.431 4 ↓
Hi High (pH 8-9.5) 2.49 6.5 -8.52 2 4 0 47 286.423 4 ↓
Mid Mid (pH 6-8) 2.49 9 -82.32 4 4 2 50 288.439 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-ethyl-1-[[(2S)-pyrrolidin-2-yl]methyl]benzimidazole 2-ethyl-1-[[(2S)-pyrrolidin-2-yl…

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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) 2.33 7.43 -42.31 2 3 1 34 230.335 3 ↓
Lo Low (pH 4.5-6) 2.33 7.72 -88.28 3 3 2 36 231.343 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-ethyl-1-[[(2R)-pyrrolidin-2-yl]methyl]benzimidazole 2-ethyl-1-[[(2R)-pyrrolidin-2-yl…

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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) 2.33 7.28 -43.09 2 3 1 34 230.335 3 ↓
Lo Low (pH 4.5-6) 2.33 7.84 -90.52 3 3 2 36 231.343 3 ↓

Parameters Provided:

ring.id = 27393
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 = 27393 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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