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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-(5-quinolyl)triazol-4-yl]ethanone 2,2,2-trifluoro-1-[1-(5-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) 2.29 5.77 -10.02 0 5 0 61 292.22 3 ↓
Lo Low (pH 4.5-6) 2.29 6.2 -41.85 1 5 1 62 293.228 3 ↓

Analogs

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Popular Name: N-[(1S)-1-(dimethylaminomethyl)-3-methyl-butyl]-5-methyl-1-(5-quinolyl)triazole-4-carboxamide N-[(1S)-1-(dimethylaminomethyl)-…

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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) 2.92 8.76 -42.53 2 7 1 77 381.504 7 ↓
Lo Low (pH 4.5-6) 2.92 9.1 -82.47 3 7 2 78 382.512 7 ↓

Analogs

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Popular Name: N-[(1R)-1-(dimethylaminomethyl)-3-methyl-butyl]-5-methyl-1-(5-quinolyl)triazole-4-carboxamide N-[(1R)-1-(dimethylaminomethyl)-…

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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) 2.92 9 -39.85 2 7 1 77 381.504 7 ↓
Lo Low (pH 4.5-6) 2.92 9.17 -82.37 3 7 2 78 382.512 7 ↓

Analogs

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Popular Name: 5-methyl-N-[2-[methyl-[(1R)-1-methylpropyl]amino]ethyl]-1-(5-quinolyl)triazole-4-carboxamide 5-methyl-N-[2-[methyl-[(1R)-1-me…

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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) 2.49 7.35 -41.44 2 7 1 77 367.477 7 ↓
Lo Low (pH 4.5-6) 2.49 7.77 -80.14 3 7 2 78 368.485 7 ↓

Analogs

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Popular Name: 5-methyl-N-[2-[methyl-[(1S)-1-methylpropyl]amino]ethyl]-1-(5-quinolyl)triazole-4-carboxamide 5-methyl-N-[2-[methyl-[(1S)-1-me…

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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) 2.49 7.38 -41.44 2 7 1 77 367.477 7 ↓
Lo Low (pH 4.5-6) 2.49 7.81 -80.26 3 7 2 78 368.485 7 ↓

Analogs

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Popular Name: N-[3-(dipropylamino)propyl]-5-methyl-1-(5-quinolyl)triazole-4-carboxamide N-[3-(dipropylamino)propyl]-5-me…

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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) 3.31 9.23 -43.64 2 7 1 77 395.531 10 ↓
Lo Low (pH 4.5-6) 3.31 9.66 -82.38 3 7 2 78 396.539 10 ↓

Analogs

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Popular Name: 2-[1-(5-quinolyl)triazol-4-yl]propan-2-amine 2-[1-(5-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) 2.03 4.02 -56.48 3 5 1 71 254.317 2 ↓
Hi High (pH 8-9.5) 2.03 3.77 -10.15 2 5 0 70 253.309 2 ↓
Lo Low (pH 4.5-6) 2.03 4.44 -96.15 4 5 2 72 255.325 2 ↓

Analogs

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Popular Name: 5-isopropyl-1-(5-quinolyl)triazole-4-carboxylic 5-isopropyl-1-(5-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) 2.69 6.63 -52.2 0 6 -1 84 281.295 3 ↓
Lo Low (pH 4.5-6) 2.69 7.05 -72.83 1 6 0 85 282.303 3 ↓

Parameters Provided:

ring.id = 103753
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 = 103753 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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