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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: dimethyl dimethyl

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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) 3.20 6.62 -14.19 3 7 0 107 413.427 7 ↓

Analogs

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Popular Name: (2R)-2-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]-2-(3-thienyl)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) 2.75 6.01 -41.51 4 3 1 56 290.437 4 ↓
Hi High (pH 8-9.5) 2.75 5.54 -7.2 3 3 0 55 289.429 4 ↓
Lo Low (pH 4.5-6) 2.75 6.25 -102.14 5 3 2 58 291.445 4 ↓

Analogs

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Popular Name: (2S)-2-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]-2-(3-thienyl)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) 2.75 5.92 -41.54 4 3 1 56 290.437 4 ↓
Hi High (pH 8-9.5) 2.75 5.59 -6.58 3 3 0 55 289.429 4 ↓
Lo Low (pH 4.5-6) 2.75 6.09 -105.24 5 3 2 58 291.445 4 ↓

Analogs

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Popular Name: (1R,2S)-1-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]-1-(3-thienyl)butan-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) 3.68 7.22 -44.53 4 3 1 56 318.491 5 ↓
Hi High (pH 8-9.5) 3.68 6.94 -5.99 3 3 0 55 317.483 5 ↓
Lo Low (pH 4.5-6) 3.68 7.55 -94.29 5 3 2 58 319.499 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-1-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]-1-(3-thienyl)butan-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) 3.68 7.2 -39.12 4 3 1 56 318.491 5 ↓
Hi High (pH 8-9.5) 3.68 6.98 -6.7 3 3 0 55 317.483 5 ↓
Lo Low (pH 4.5-6) 3.68 7.61 -99.65 5 3 2 58 319.499 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-1-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]-1-(3-thienyl)butan-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) 3.68 7.26 -39.15 4 3 1 56 318.491 5 ↓
Hi High (pH 8-9.5) 3.68 6.98 -6.44 3 3 0 55 317.483 5 ↓
Lo Low (pH 4.5-6) 3.68 7.68 -94.59 5 3 2 58 319.499 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-1-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]-1-(3-thienyl)butan-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) 3.68 7.32 -44.73 4 3 1 56 318.491 5 ↓
Hi High (pH 8-9.5) 3.68 7.06 -6.76 3 3 0 55 317.483 5 ↓
Lo Low (pH 4.5-6) 3.68 7.69 -89.49 5 3 2 58 319.499 5 ↓

Analogs

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Popular Name: (1S,2R)-1-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]-1-(3-thienyl)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) 3.15 6.55 -45.34 4 3 1 56 304.464 4 ↓
Hi High (pH 8-9.5) 3.15 6.24 -6.77 3 3 0 55 303.456 4 ↓
Lo Low (pH 4.5-6) 3.15 6.94 -96.65 5 3 2 58 305.472 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-1-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]-1-(3-thienyl)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) 3.15 6.45 -39.47 4 3 1 56 304.464 4 ↓
Hi High (pH 8-9.5) 3.15 6.2 -6.33 3 3 0 55 303.456 4 ↓
Lo Low (pH 4.5-6) 3.15 6.79 -99.67 5 3 2 58 305.472 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-1-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]-1-(3-thienyl)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) 3.15 6.39 -39.94 4 3 1 56 304.464 4 ↓
Hi High (pH 8-9.5) 3.15 6.09 -6.75 3 3 0 55 303.456 4 ↓
Lo Low (pH 4.5-6) 3.15 6.74 -101.75 5 3 2 58 305.472 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-1-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]-1-(3-thienyl)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) 3.15 6.43 -45.46 4 3 1 56 304.464 4 ↓
Hi High (pH 8-9.5) 3.15 6.12 -6.21 3 3 0 55 303.456 4 ↓
Lo Low (pH 4.5-6) 3.15 6.76 -93.95 5 3 2 58 305.472 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-thienylmethylsulfanyl)-3H-benzimidazol-5-amine 2-(3-thienylmethylsulfanyl)-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) 2.58 5.1 -7.73 3 3 0 55 261.375 3 ↓

Parameters Provided:

ring.id = 184337
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 = 184337 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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