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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: 2,2,2-trifluoro-1-[1-(8-quinolyl)triazol-4-yl]ethanone 2,2,2-trifluoro-1-[1-(8-quinolyl…

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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) 1.98 6.17 -14.31 0 5 0 61 292.22 3 ↓

Analogs

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Popular Name: N-[2-(diisopropylamino)ethyl]-5-methyl-1-(8-quinolyl)triazole-4-carboxamide N-[2-(diisopropylamino)ethyl]-5-…

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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) 2.33 7.68 -41.26 2 7 1 77 381.504 7 ↓
Hi High (pH 8-9.5) 2.33 5.66 -14.65 1 7 0 76 380.496 7 ↓

Analogs

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Popular Name: methyl 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) 2.45 7.24 -16.66 1 8 0 99 381.436 7 ↓

Analogs

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Popular Name: methyl 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) 2.45 7.45 -16.86 1 8 0 99 381.436 7 ↓

Analogs

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Popular Name: N-methoxy-5-methyl-1-(8-quinolyl)triazole-4-carboxamide N-methoxy-5-methyl-1-(8-quinolyl…

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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) 0.91 4.53 -16.96 1 7 0 82 283.291 3 ↓

Analogs

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Popular Name: N-(4-amino-4-oxo-butyl)-5-methyl-1-(8-quinolyl)triazole-4-carboxamide N-(4-amino-4-oxo-butyl)-5-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) 0.22 2.02 -21.97 3 8 0 116 338.371 6 ↓

Analogs

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Popular Name: methyl 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) 1.55 6.75 -19.8 1 8 0 99 367.409 8 ↓

Analogs

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Popular Name: N-[(1S)-3-methoxy-1-methyl-propyl]-5-methyl-1-(8-quinolyl)triazole-4-carboxamide N-[(1S)-3-methoxy-1-methyl-propy…

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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) 1.53 5.25 -15.62 1 7 0 82 339.399 6 ↓

Analogs

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Popular Name: N-[(1R)-3-methoxy-1-methyl-propyl]-5-methyl-1-(8-quinolyl)triazole-4-carboxamide N-[(1R)-3-methoxy-1-methyl-propy…

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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) 1.53 5.25 -15.66 1 7 0 82 339.399 6 ↓

Analogs

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Popular Name: N-[(1S)-1,2-dimethylpropyl]-N-ethyl-5-methyl-1-(8-quinolyl)triazole-4-carboxamide N-[(1S)-1,2-dimethylpropyl]-N-et…

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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) 3.02 10.08 -14.85 0 6 0 64 351.454 5 ↓

Analogs

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Popular Name: N-[(1R)-1,2-dimethylpropyl]-N-ethyl-5-methyl-1-(8-quinolyl)triazole-4-carboxamide N-[(1R)-1,2-dimethylpropyl]-N-et…

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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) 3.02 9.76 -14.89 0 6 0 64 351.454 5 ↓

Analogs

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Popular Name: 5-methyl-1-(8-quinolyl)triazole-4-carboxamide 5-methyl-1-(8-quinolyl)triazole-…

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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) 0.57 2.09 -15.46 2 6 0 87 253.265 2 ↓

Analogs

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Popular Name: 2-[1-(8-quinolyl)triazol-4-yl]propan-2-amine 2-[1-(8-quinolyl)triazol-4-yl]pr…

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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) 1.73 4.39 -58.51 3 5 1 71 254.317 2 ↓
Hi High (pH 8-9.5) 1.73 4.15 -16.17 2 5 0 70 253.309 2 ↓

Analogs

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Popular Name: 2-[1-(2-methyl-8-quinolyl)triazol-4-yl]propan-2-amine 2-[1-(2-methyl-8-quinolyl)triazo…

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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 4.97 -54.33 3 5 1 71 268.344 2 ↓
Hi High (pH 8-9.5) 1.78 4.71 -16.44 2 5 0 70 267.336 2 ↓
Lo Low (pH 4.5-6) 1.78 5.29 -88.28 4 5 2 72 269.352 2 ↓

Analogs

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Popular Name: [2-(dimethylamino)-2-oxo-ethyl] [2-(dimethylamino)-2-oxo-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) 0.50 7.16 -24.59 0 8 0 90 339.355 5 ↓

Analogs

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Popular Name: 5-propyl-1-(8-quinolyl)triazole-4-carboxylic 5-propyl-1-(8-quinolyl)triazole-…

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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) 2.40 7.3 -64.7 0 6 -1 84 281.295 4 ↓

Analogs

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Popular Name: 5-ethyl-1-(8-quinolyl)triazole-4-carboxylic 5-ethyl-1-(8-quinolyl)triazole-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) 1.90 6.52 -64.05 0 6 -1 84 267.268 3 ↓

Parameters Provided:

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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 = 103755 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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