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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[[cyclopentylmethyl(methyl)amino]methyl]-N,N-diethyl-3H-benzimidazole-5-sulfonamide 2-[[cyclopentylmethyl(methyl)ami…

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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) 3.16 8.1 -51.68 2 6 1 70 379.55 8 ↓
Mid Mid (pH 6-8) 3.16 5.92 -12.65 1 6 0 69 378.542 8 ↓

Analogs

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Popular Name: N-(cyclopentylmethyl)-1-(1-methylbenzimidazol-2-yl)methanamine N-(cyclopentylmethyl)-1-(1-methy…

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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) 2.94 8.28 -46.67 2 3 1 34 244.362 4 ↓
Hi High (pH 8-9.5) 2.94 6.92 -8.85 1 3 0 30 243.354 4 ↓

Analogs

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Popular Name: (1S)-1-cyclopentyl-N-[(1-ethylbenzimidazol-2-yl)methyl]ethanamine (1S)-1-cyclopentyl-N-[(1-ethylbe…

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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 9.61 -43.02 2 3 1 34 272.416 5 ↓
Hi High (pH 8-9.5) 3.65 8.66 -8.28 1 3 0 30 271.408 5 ↓

Analogs

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Popular Name: (1R)-1-cyclopentyl-N-[(1-ethylbenzimidazol-2-yl)methyl]ethanamine (1R)-1-cyclopentyl-N-[(1-ethylbe…

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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 9.56 -43.48 2 3 1 34 272.416 5 ↓
Hi High (pH 8-9.5) 3.65 8.35 -8.35 1 3 0 30 271.408 5 ↓

Analogs

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Popular Name: (1S)-1-cyclopentyl-N-[(1-propylbenzimidazol-2-yl)methyl]ethanamine (1S)-1-cyclopentyl-N-[(1-propylb…

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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) 4.15 10.36 -42.97 2 3 1 34 286.443 6 ↓
Hi High (pH 8-9.5) 4.15 9.41 -7.88 1 3 0 30 285.435 6 ↓

Analogs

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Popular Name: (1R)-1-cyclopentyl-N-[(1-propylbenzimidazol-2-yl)methyl]ethanamine (1R)-1-cyclopentyl-N-[(1-propylb…

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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) 4.15 10.31 -43.41 2 3 1 34 286.443 6 ↓
Hi High (pH 8-9.5) 4.15 9.1 -7.85 1 3 0 30 285.435 6 ↓

Analogs

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Popular Name: (1S)-N-[(1S)-1-cyclopentylethyl]-1-(1-methylbenzimidazol-2-yl)ethanamine (1S)-N-[(1S)-1-cyclopentylethyl]…

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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) 3.83 9.05 -37.99 2 3 1 34 272.416 4 ↓
Hi High (pH 8-9.5) 3.83 8.17 -7.75 1 3 0 30 271.408 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-[(1S)-1-cyclopentylethyl]-1-(1-methylbenzimidazol-2-yl)ethanamine (1R)-N-[(1S)-1-cyclopentylethyl]…

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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) 3.83 8.7 -38.56 2 3 1 34 272.416 4 ↓
Hi High (pH 8-9.5) 3.83 7.92 -9.58 1 3 0 30 271.408 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-[(1R)-1-cyclopentylethyl]-1-(1-methylbenzimidazol-2-yl)ethanamine (1S)-N-[(1R)-1-cyclopentylethyl]…

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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) 3.83 8.75 -38.88 2 3 1 34 272.416 4 ↓
Hi High (pH 8-9.5) 3.83 8.06 -6.76 1 3 0 30 271.408 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-[(1R)-1-cyclopentylethyl]-1-(1-methylbenzimidazol-2-yl)ethanamine (1R)-N-[(1R)-1-cyclopentylethyl]…

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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) 3.83 9 -37.88 2 3 1 34 272.416 4 ↓
Hi High (pH 8-9.5) 3.83 7.98 -8.15 1 3 0 30 271.408 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-cyclopentyl-N-[(1-methylbenzimidazol-2-yl)methyl]ethanamine (1S)-1-cyclopentyl-N-[(1-methylb…

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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) 3.27 8.7 -43.22 2 3 1 34 258.389 4 ↓
Hi High (pH 8-9.5) 3.27 7.49 -7.08 1 3 0 30 257.381 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-cyclopentyl-N-[(1-methylbenzimidazol-2-yl)methyl]ethanamine (1R)-1-cyclopentyl-N-[(1-methylb…

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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) 3.27 8.66 -43.74 2 3 1 34 258.389 4 ↓
Hi High (pH 8-9.5) 3.27 7.54 -7.03 1 3 0 30 257.381 4 ↓

Parameters Provided:

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filter.purchasability = annotated
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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 = 322242 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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