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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: 2-[1-[(1S)-1-(3-thienyl)ethyl]imidazol-2-yl]sulfanylacetic 2-[1-[(1S)-1-(3-thienyl)ethyl]im…

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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) 1.70 7.99 -47.29 0 4 -1 58 267.355 5 ↓
Mid Mid (pH 6-8) 1.70 8.48 -43.43 1 4 0 59 268.363 5 ↓

Analogs

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Popular Name: 2-[1-[(1R)-1-(3-thienyl)ethyl]imidazol-2-yl]sulfanylacetic 2-[1-[(1R)-1-(3-thienyl)ethyl]im…

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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) 1.70 7.99 -47.29 0 4 -1 58 267.355 5 ↓
Mid Mid (pH 6-8) 1.70 8.48 -43.35 1 4 0 59 268.363 5 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 1.59 7.06 -10.88 2 5 0 70 265.338 5 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 1.59 7.06 -10.87 2 5 0 70 265.338 5 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 1.68 7.56 -11.04 2 5 0 70 279.365 5 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 1.68 7.26 -11.23 2 5 0 70 279.365 5 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 2.25 7.93 -10.65 2 5 0 70 293.392 6 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 2.25 7.93 -10.97 2 5 0 70 293.392 6 ↓

Analogs

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Popular Name: (2S)-1-[1-(3-thienylmethyl)imidazol-2-yl]propan-2-amine (2S)-1-[1-(3-thienylmethyl)imida…

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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) 0.67 4.93 -40.63 3 3 1 45 222.337 4 ↓
Hi High (pH 8-9.5) 0.67 4.58 -6.59 2 3 0 44 221.329 4 ↓
Mid Mid (pH 6-8) 0.67 5.46 -107.22 4 3 2 47 223.345 4 ↓

Analogs

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Popular Name: (2R)-1-[1-(3-thienylmethyl)imidazol-2-yl]propan-2-amine (2R)-1-[1-(3-thienylmethyl)imida…

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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) 0.67 5.07 -48.47 3 3 1 45 222.337 4 ↓
Hi High (pH 8-9.5) 0.67 4.78 -7.84 2 3 0 44 221.329 4 ↓
Mid Mid (pH 6-8) 0.67 5.21 -102.98 4 3 2 47 223.345 4 ↓

Analogs

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Popular Name: (2S)-1-[1-(3-thienylmethyl)imidazol-2-yl]butan-2-amine (2S)-1-[1-(3-thienylmethyl)imida…

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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) 1.20 5.75 -40.07 3 3 1 45 236.364 5 ↓
Mid Mid (pH 6-8) 1.20 6.32 -108.19 4 3 2 47 237.372 5 ↓

Analogs

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Popular Name: (2R)-1-[1-(3-thienylmethyl)imidazol-2-yl]butan-2-amine (2R)-1-[1-(3-thienylmethyl)imida…

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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) 1.20 5.88 -48.14 3 3 1 45 236.364 5 ↓
Mid Mid (pH 6-8) 1.20 6.02 -103.85 4 3 2 47 237.372 5 ↓

Analogs

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Popular Name: 2-isopropyl-1-(3-thienylmethyl)imidazole 2-isopropyl-1-(3-thienylmethyl)i…

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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) 2.32 7.76 -28.2 1 2 1 19 207.322 3 ↓
Mid Mid (pH 6-8) 2.32 7.38 -7.47 0 2 0 18 206.314 3 ↓

Analogs

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Popular Name: (2R)-2-(2-propylimidazol-1-yl)-2-(3-thienyl)ethanamine (2R)-2-(2-propylimidazol-1-yl)-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) 1.13 5.45 -54.22 3 3 1 45 236.364 5 ↓
Hi High (pH 8-9.5) 1.13 5.09 -6.88 2 3 0 44 235.356 5 ↓
Mid Mid (pH 6-8) 1.13 5.91 -102.63 4 3 2 47 237.372 5 ↓

Analogs

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Popular Name: (2S)-2-(2-propylimidazol-1-yl)-2-(3-thienyl)ethanamine (2S)-2-(2-propylimidazol-1-yl)-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) 1.13 5.75 -52.22 3 3 1 45 236.364 5 ↓
Hi High (pH 8-9.5) 1.13 5.14 -7.47 2 3 0 44 235.356 5 ↓
Mid Mid (pH 6-8) 1.13 6.15 -109.59 4 3 2 47 237.372 5 ↓

Analogs

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Popular Name: 2-propyl-1-(3-thienylmethyl)imidazole 2-propyl-1-(3-thienylmethyl)imid…

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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) 2.34 7.94 -29.25 1 2 1 19 207.322 4 ↓
Mid Mid (pH 6-8) 2.34 7.66 -7.57 0 2 0 18 206.314 4 ↓

Analogs

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Popular Name: 2-methyl-5-nitro-1-[(5-nitro-3-thienyl)methyl]imidazole 2-methyl-5-nitro-1-[(5-nitro-3-t…

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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) 1.43 8.57 -10.18 0 8 0 109 268.254 4 ↓

Analogs

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Popular Name: 1-[(5-bromo-3-thienyl)methyl]-2-methyl-5-nitro-imidazole 1-[(5-bromo-3-thienyl)methyl]-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) 2.28 8.33 -6.87 0 5 0 64 302.153 3 ↓

Analogs

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Popular Name: 2-[1-[(1R)-1-(2,5-dimethyl-3-thienyl)ethyl]imidazol-2-yl]sulfanylacetic 2-[1-[(1R)-1-(2,5-dimethyl-3-thi…

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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) 2.15 9.47 -46.56 0 4 -1 58 295.409 5 ↓
Mid Mid (pH 6-8) 2.15 9.96 -41.82 1 4 0 59 296.417 5 ↓

Analogs

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Popular Name: 2-[1-[(1S)-1-(2,5-dimethyl-3-thienyl)ethyl]imidazol-2-yl]sulfanylacetic 2-[1-[(1S)-1-(2,5-dimethyl-3-thi…

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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) 2.15 9.48 -46.63 0 4 -1 58 295.409 5 ↓
Mid Mid (pH 6-8) 2.15 9.96 -41.88 1 4 0 59 296.417 5 ↓

Parameters Provided:

ring.id = 212038
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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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 = 212038 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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