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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: (1R,2R)-2-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]cyclopentanecarbonitrile (1R,2R)-2-[(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) 3.82 7.98 -10.11 1 3 0 52 257.362 2 ↓
Lo Low (pH 4.5-6) 3.82 8.3 -31.25 2 3 1 54 258.37 2 ↓

Analogs

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Popular Name: (1R,2S)-2-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]cyclopentanecarbonitrile (1R,2S)-2-[(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) 3.82 8.19 -10.28 1 3 0 52 257.362 2 ↓
Lo Low (pH 4.5-6) 3.82 8.62 -31.42 2 3 1 54 258.37 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]cyclopentanecarbonitrile (1S,2R)-2-[(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) 3.82 8.19 -10.28 1 3 0 52 257.362 2 ↓
Lo Low (pH 4.5-6) 3.82 8.51 -30.85 2 3 1 54 258.37 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]cyclopentanecarbonitrile (1S,2S)-2-[(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) 3.82 8.06 -10.23 1 3 0 52 257.362 2 ↓
Lo Low (pH 4.5-6) 3.82 8.27 -30.29 2 3 1 54 258.37 2 ↓

Analogs

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Popular Name: [(1R,2R)-2-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]cyclopentyl]methanamine [(1R,2R)-2-[(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) 2.84 5.71 -51.9 4 3 1 56 262.402 3 ↓
Lo Low (pH 4.5-6) 2.84 6.03 -90.27 5 3 2 58 263.41 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R,2S)-2-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]cyclopentyl]methanamine [(1R,2S)-2-[(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) 2.84 5.83 -50.81 4 3 1 56 262.402 3 ↓
Lo Low (pH 4.5-6) 2.84 6.23 -94.64 5 3 2 58 263.41 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S,2R)-2-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]cyclopentyl]methanamine [(1S,2R)-2-[(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) 2.84 5.93 -50.92 4 3 1 56 262.402 3 ↓
Lo Low (pH 4.5-6) 2.84 6.25 -90.13 5 3 2 58 263.41 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S,2S)-2-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]cyclopentyl]methanamine [(1S,2S)-2-[(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) 2.84 5.71 -51.9 4 3 1 56 262.402 3 ↓
Lo Low (pH 4.5-6) 2.84 6.14 -88.84 5 3 2 58 263.41 3 ↓

Analogs

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Popular Name: (1S,2R)-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]cyclopentanol (1S,2R)-2-[(6-ethoxy-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) 3.01 4.38 -8.17 2 4 0 58 278.377 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]cyclopentanol (1S,2S)-2-[(6-ethoxy-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) 3.01 4.22 -8.33 2 4 0 58 278.377 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]cyclopentanol (1R,2R)-2-[(6-ethoxy-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) 3.01 4.15 -8.32 2 4 0 58 278.377 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]cyclopentanol (1R,2S)-2-[(6-ethoxy-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) 3.01 4.41 -8.07 2 4 0 58 278.377 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]cyclopentanol (1S,2R)-2-[(6-methoxy-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) 2.63 3.46 -8.4 2 4 0 58 264.35 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]cyclopentanol (1S,2S)-2-[(6-methoxy-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) 2.63 3.29 -8.58 2 4 0 58 264.35 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]cyclopentanol (1R,2R)-2-[(6-methoxy-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) 2.63 3.22 -8.55 2 4 0 58 264.35 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]cyclopentanol (1R,2S)-2-[(6-methoxy-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) 2.63 3.49 -8.3 2 4 0 58 264.35 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-(1H-benzimidazol-2-ylsulfanyl)cyclopentanol (1S,2R)-2-(1H-benzimidazol-2-yls…

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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) 2.60 4.17 -8.27 2 3 0 49 234.324 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-(1H-benzimidazol-2-ylsulfanyl)cyclopentanol (1S,2S)-2-(1H-benzimidazol-2-yls…

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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) 2.60 4 -8.62 2 3 0 49 234.324 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-(1H-benzimidazol-2-ylsulfanyl)cyclopentanol (1R,2R)-2-(1H-benzimidazol-2-yls…

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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) 2.60 3.93 -8.71 2 3 0 49 234.324 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-(1H-benzimidazol-2-ylsulfanyl)cyclopentanol (1R,2S)-2-(1H-benzimidazol-2-yls…

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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) 2.60 4.2 -8.21 2 3 0 49 234.324 2 ↓

Analogs

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Popular Name: 2-cyclopentylsulfanyl-3H-benzimidazol-5-amine 2-cyclopentylsulfanyl-3H-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) 2.80 5.14 -6.8 3 3 0 55 233.34 2 ↓

Parameters Provided:

ring.id = 216389
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 = 216389 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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