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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: (1S)-N-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]-1-cyclopropyl-ethanamine (1S)-N-[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) 3.33 7.25 -42.55 3 3 1 45 262.402 6 ↓
Lo Low (pH 4.5-6) 3.33 7.64 -93.14 4 3 2 47 263.41 6 ↓

Analogs

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Popular Name: (1R)-N-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]-1-cyclopropyl-ethanamine (1R)-N-[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) 3.33 7.35 -42.17 3 3 1 45 262.402 6 ↓
Lo Low (pH 4.5-6) 3.33 7.75 -92.63 4 3 2 47 263.41 6 ↓

Analogs

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Popular Name: 2-(1H-benzimidazol-2-ylsulfanyl)-N-(cyclopropylmethyl)ethanamine 2-(1H-benzimidazol-2-ylsulfanyl)…

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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) 2.65 6.93 -44.45 3 3 1 45 248.375 6 ↓
Lo Low (pH 4.5-6) 2.65 7.33 -94.4 4 3 2 47 249.383 6 ↓

Analogs

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Popular Name: (1S)-1-cyclopropyl-N-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethyl]ethanamine (1S)-1-cyclopropyl-N-[2-[(6-meth…

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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) 3.37 6.54 -43.79 3 4 1 55 292.428 7 ↓
Lo Low (pH 4.5-6) 3.37 6.92 -96.36 4 4 2 56 293.436 7 ↓

Analogs

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Popular Name: (1R)-1-cyclopropyl-N-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethyl]ethanamine (1R)-1-cyclopropyl-N-[2-[(6-meth…

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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) 3.37 6.63 -43.42 3 4 1 55 292.428 7 ↓
Lo Low (pH 4.5-6) 3.37 7.03 -96.03 4 4 2 56 293.436 7 ↓

Analogs

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Popular Name: N-(cyclopropylmethyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanamine N-(cyclopropylmethyl)-2-[(6-meth…

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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) 2.68 6.23 -45.67 3 4 1 55 278.401 7 ↓
Lo Low (pH 4.5-6) 2.68 6.61 -97.85 4 4 2 56 279.409 7 ↓

Analogs

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Popular Name: N-[(1S)-1-cyclopropylethyl]-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]ethanamine N-[(1S)-1-cyclopropylethyl]-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) 3.74 7.46 -43.64 3 4 1 55 306.455 8 ↓
Lo Low (pH 4.5-6) 3.74 7.84 -96.69 4 4 2 56 307.463 8 ↓

Analogs

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Popular Name: N-[(1R)-1-cyclopropylethyl]-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]ethanamine N-[(1R)-1-cyclopropylethyl]-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) 3.74 7.56 -43.21 3 4 1 55 306.455 8 ↓
Lo Low (pH 4.5-6) 3.74 7.94 -96.21 4 4 2 56 307.463 8 ↓

Analogs

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Popular Name: N-(cyclopropylmethyl)-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]ethanamine N-(cyclopropylmethyl)-2-[(6-etho…

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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) 3.06 7.15 -45.44 3 4 1 55 292.428 8 ↓
Lo Low (pH 4.5-6) 3.06 7.53 -97.99 4 4 2 56 293.436 8 ↓

Analogs

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Popular Name: N-[(1S)-1-cyclopropylethyl]-2-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanamine N-[(1S)-1-cyclopropylethyl]-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) 3.76 7.92 -42.37 3 3 1 45 276.429 6 ↓
Lo Low (pH 4.5-6) 3.76 8.3 -93.7 4 3 2 47 277.437 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-cyclopropylethyl]-2-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanamine N-[(1R)-1-cyclopropylethyl]-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) 3.76 8.01 -42.03 3 3 1 45 276.429 6 ↓
Lo Low (pH 4.5-6) 3.76 8.39 -93.27 4 3 2 47 277.437 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclopropylmethyl)-2-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanamine N-(cyclopropylmethyl)-2-[(5-meth…

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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) 3.08 7.6 -44.36 3 3 1 45 262.402 6 ↓
Lo Low (pH 4.5-6) 3.08 7.98 -95.07 4 3 2 47 263.41 6 ↓

Parameters Provided:

ring.id = 94954
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 = 94954 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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