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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: 1-[1-[(4-bromo-2-thienyl)methyl]triazol-4-yl]-2,2,2-trifluoro-ethanone 1-[1-[(4-bromo-2-thienyl)methyl]…

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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) 2.77 5.42 -10.5 0 4 0 48 340.124 4 ↓

Analogs

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Popular Name: 1-[1-[(3-bromo-2-thienyl)methyl]triazol-4-yl]-2,2,2-trifluoro-ethanone 1-[1-[(3-bromo-2-thienyl)methyl]…

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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) 2.77 5.35 -10 0 4 0 48 340.124 4 ↓

Analogs

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Popular Name: 2,2,2-trifluoro-1-[1-(2-thienylmethyl)triazol-4-yl]ethanone 2,2,2-trifluoro-1-[1-(2-thienylm…

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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) 2.03 4.92 -9.51 0 4 0 48 261.228 4 ↓

Analogs

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Popular Name: 1-[1-[(5-bromo-2-thienyl)methyl]triazol-4-yl]-2,2,2-trifluoro-ethanone 1-[1-[(5-bromo-2-thienyl)methyl]…

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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) 2.97 5.66 -10.1 0 4 0 48 340.124 4 ↓

Analogs

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Popular Name: 1-[1-[(5-chloro-2-thienyl)methyl]triazol-4-yl]-2,2,2-trifluoro-ethanone 1-[1-[(5-chloro-2-thienyl)methyl…

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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 5.56 -10.03 0 4 0 48 295.673 4 ↓

Analogs

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Popular Name: 1-[1-[(5-ethyl-2-thienyl)methyl]triazol-4-yl]-2,2,2-trifluoro-ethanone 1-[1-[(5-ethyl-2-thienyl)methyl]…

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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) 2.83 6.55 -9.22 0 4 0 48 289.282 5 ↓

Analogs

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Popular Name: 2-[1-[(3-bromo-2-thienyl)methyl]triazol-4-yl]propan-2-amine 2-[1-[(3-bromo-2-thienyl)methyl]…

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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) 2.51 3.72 -53.92 3 4 1 58 302.221 3 ↓
Hi High (pH 8-9.5) 2.51 3.46 -9.19 2 4 0 57 301.213 3 ↓

Analogs

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Popular Name: 2-[1-[(4-bromo-2-thienyl)methyl]triazol-4-yl]propan-2-amine 2-[1-[(4-bromo-2-thienyl)methyl]…

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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) 2.51 3.8 -55.11 3 4 1 58 302.221 3 ↓
Hi High (pH 8-9.5) 2.51 3.55 -9.32 2 4 0 57 301.213 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[1-[(5-bromo-2-thienyl)methyl]triazol-4-yl]propan-2-amine 2-[1-[(5-bromo-2-thienyl)methyl]…

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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) 2.71 3.92 -54.05 3 4 1 58 302.221 3 ↓
Hi High (pH 8-9.5) 2.71 3.66 -8.87 2 4 0 57 301.213 3 ↓

Analogs

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Popular Name: 2-[1-[(5-chloro-2-thienyl)methyl]triazol-4-yl]propan-2-amine 2-[1-[(5-chloro-2-thienyl)methyl…

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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 3.82 -54.07 3 4 1 58 257.77 3 ↓
Hi High (pH 8-9.5) 2.58 3.56 -8.81 2 4 0 57 256.762 3 ↓

Analogs

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Popular Name: 2-[1-(2-thienylmethyl)triazol-4-yl]propan-2-amine 2-[1-(2-thienylmethyl)triazol-4-…

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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) 1.78 3.19 -52.82 3 4 1 58 223.325 3 ↓
Hi High (pH 8-9.5) 1.78 2.93 -8.95 2 4 0 57 222.317 3 ↓

Analogs

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Popular Name: 2-[1-[(5-ethyl-2-thienyl)methyl]triazol-4-yl]propan-2-amine 2-[1-[(5-ethyl-2-thienyl)methyl]…

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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) 2.57 4.79 -49.26 3 4 1 58 251.379 4 ↓
Hi High (pH 8-9.5) 2.57 4.54 -8.17 2 4 0 57 250.371 4 ↓

Parameters Provided:

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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 = 103867 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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