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Analogs

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Popular Name: 2-(1,2,4-triazol-1-yl)quinoline-4-carbonitrile 2-(1,2,4-triazol-1-yl)quinoline-…

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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) 1.49 8.82 -8.01 0 5 0 67 221.223 1 ↓

Analogs

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Popular Name: 2-(3,5-dimethyl-1,2,4-triazol-1-yl)quinolin-6-amine 2-(3,5-dimethyl-1,2,4-triazol-1-…

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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) 0.73 6.52 -10.51 2 5 0 70 239.282 1 ↓

Analogs

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Popular Name: 2-(3,5-dimethyl-1,2,4-triazol-1-yl)quinoline-3-carbaldehyde 2-(3,5-dimethyl-1,2,4-triazol-1-…

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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) 1.40 8.1 -10.41 0 5 0 61 252.277 2 ↓

Analogs

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Popular Name: 2-(3,5-dimethyl-1,2,4-triazol-1-yl)quinoline-3-carboxylic 2-(3,5-dimethyl-1,2,4-triazol-1-…

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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) 1.18 8.99 -59.11 0 6 -1 84 267.268 2 ↓

Analogs

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Popular Name: [2-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-quinolyl]methanol [2-(3,5-dimethyl-1,2,4-triazol-1…

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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) 0.95 6.53 -9.63 1 5 0 64 254.293 2 ↓

Analogs

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Popular Name: 3-(chloromethyl)-2-(3,5-dimethyl-1,2,4-triazol-1-yl)quinoline 3-(chloromethyl)-2-(3,5-dimethyl…

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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) 2.18 9.86 -10.69 0 4 0 44 272.739 2 ↓

Analogs

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Popular Name: 1-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-quinolyl]-N-methyl-methanamine 1-[2-(3,5-dimethyl-1,2,4-triazol…

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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) 1.17 9.25 -38.76 2 5 1 60 268.344 3 ↓
Mid Mid (pH 6-8) 1.17 7.79 -8.24 1 5 0 56 267.336 3 ↓

Analogs

43396090
43396090

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-quinolyl]methanamine [2-(3,5-dimethyl-1,2,4-triazol-1…

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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) 0.79 7.33 -43.2 3 5 1 71 254.317 2 ↓
Mid Mid (pH 6-8) 0.79 6.92 -8.38 2 5 0 70 253.309 2 ↓

Analogs

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Popular Name: N-[[2-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-quinolyl]methyl]ethanamine N-[[2-(3,5-dimethyl-1,2,4-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) 1.54 10.11 -37.52 2 5 1 60 282.371 4 ↓

Analogs

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Popular Name: 2-(1,2,4-triazol-1-yl)quinoline-4-carboxylic 2-(1,2,4-triazol-1-yl)quinoline-…

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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) 1.31 8.97 -49.88 0 6 -1 84 239.214 2 ↓

Analogs

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Popular Name: 2-(3-nitro-1,2,4-triazol-1-yl)quinoline-4-carboxylic 2-(3-nitro-1,2,4-triazol-1-yl)qu…

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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 11.31 -48.54 0 9 -1 130 284.211 3 ↓

Parameters Provided:

ring.id = 265009
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 = 265009 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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