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

42408796
42408796

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-(1H-benzimidazol-2-ylsulfanyl)propyl]cyclopropanamine N-[(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) 2.86 7.03 -40.07 3 3 1 45 248.375 5 ↓
Lo Low (pH 4.5-6) 2.86 7.14 -88.5 4 3 2 47 249.383 5 ↓

Analogs

42408796
42408796

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-(1H-benzimidazol-2-ylsulfanyl)propyl]cyclopropanamine N-[(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) 2.86 7.04 -40.25 3 3 1 45 248.375 5 ↓
Lo Low (pH 4.5-6) 2.86 7.09 -88.61 4 3 2 47 249.383 5 ↓

Analogs

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Popular Name: N-[(2S)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propyl]cyclopropanamine N-[(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) 2.89 6.32 -41.05 3 4 1 55 278.401 6 ↓
Lo Low (pH 4.5-6) 2.89 6.37 -91.72 4 4 2 56 279.409 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propyl]cyclopropanamine N-[(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) 2.89 6.33 -41.24 3 4 1 55 278.401 6 ↓
Lo Low (pH 4.5-6) 2.89 6.46 -92.48 4 4 2 56 279.409 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]propyl]cyclopropanamine N-[(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) 3.27 7.24 -40.84 3 4 1 55 292.428 7 ↓
Lo Low (pH 4.5-6) 3.27 7.26 -93.01 4 4 2 56 293.436 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]propyl]cyclopropanamine N-[(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) 3.27 7.25 -41.03 3 4 1 55 292.428 7 ↓
Lo Low (pH 4.5-6) 3.27 7.31 -91.98 4 4 2 56 293.436 7 ↓

Analogs

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Popular Name: (2R)-2-(cyclopropylamino)-2-methyl-3-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]propanenitrile (2R)-2-(cyclopropylamino)-2-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) 3.14 6.05 -8.5 2 4 0 65 286.404 5 ↓
Lo Low (pH 4.5-6) 3.14 7.16 -44.22 3 4 1 69 287.412 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(cyclopropylamino)-2-methyl-3-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]propanenitrile (2S)-2-(cyclopropylamino)-2-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) 3.14 6.08 -10.16 2 4 0 65 286.404 5 ↓
Lo Low (pH 4.5-6) 3.14 7.24 -43.9 3 4 1 69 287.412 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(cyclopropylamino)-2-methyl-3-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]propanamide (2R)-2-(cyclopropylamino)-2-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) 2.09 4.14 -43.91 5 5 1 88 305.427 6 ↓
Mid Mid (pH 6-8) 2.09 3.02 -10.69 4 5 0 84 304.419 6 ↓
Lo Low (pH 4.5-6) 2.09 4.52 -95.01 6 5 2 90 306.435 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(cyclopropylamino)-2-methyl-3-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]propanamide (2S)-2-(cyclopropylamino)-2-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) 2.09 4.08 -44.03 5 5 1 88 305.427 6 ↓
Mid Mid (pH 6-8) 2.09 2.86 -10.27 4 5 0 84 304.419 6 ↓
Lo Low (pH 4.5-6) 2.09 4.46 -94.9 6 5 2 90 306.435 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(cyclopropylamino)-2-methyl-3-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]propanoic (2R)-2-(cyclopropylamino)-2-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) 0.62 7.65 -35.3 3 5 0 85 305.403 6 ↓
Hi High (pH 8-9.5) 0.62 6.53 -47.13 2 5 -1 81 304.395 6 ↓
Lo Low (pH 4.5-6) 0.62 8.03 -56.91 4 5 1 87 306.411 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(cyclopropylamino)-2-methyl-3-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]propanoic (2S)-2-(cyclopropylamino)-2-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) 0.62 7.51 -34.19 3 5 0 85 305.403 6 ↓
Hi High (pH 8-9.5) 0.62 6.45 -51.51 2 5 -1 81 304.395 6 ↓
Lo Low (pH 4.5-6) 0.62 7.89 -56.46 4 5 1 87 306.411 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]propyl]cyclopropanamine N-[(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) 3.29 7.7 -39.94 3 3 1 45 262.402 5 ↓
Lo Low (pH 4.5-6) 3.29 7.73 -89.9 4 3 2 47 263.41 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]propyl]cyclopropanamine N-[(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) 3.29 7.71 -40.11 3 3 1 45 262.402 5 ↓
Lo Low (pH 4.5-6) 3.29 7.76 -89.15 4 3 2 47 263.41 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]ethyl]cyclopropanamine N-[2-[(6-ethoxy-1H-benzimidazol-…

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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) 2.91 6.32 -42.25 3 4 1 55 278.401 7 ↓
Lo Low (pH 4.5-6) 2.91 6.7 -93.78 4 4 2 56 279.409 7 ↓

Parameters Provided:

ring.id = 94907
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 = 94907 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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