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Analogs

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Popular Name: N-ethyl-N-[[6-[(2-methylphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl]ethanami N-ethyl-N-[[6-[(2-methylphenoxy)…

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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) 2.61 9.72 -36.94 1 6 1 57 332.453 7 ↓
Mid Mid (pH 6-8) 2.61 7.68 -12.29 0 6 0 56 331.445 7 ↓

Analogs

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Popular Name: N-ethyl-N-[[6-[(3-methylphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl]ethanami N-ethyl-N-[[6-[(3-methylphenoxy)…

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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) 2.63 9.74 -36.63 1 6 1 57 332.453 7 ↓
Mid Mid (pH 6-8) 2.63 7.32 -12.66 0 6 0 56 331.445 7 ↓

Analogs

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Popular Name: N-ethyl-N-[[6-[(4-methylphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl]ethanami N-ethyl-N-[[6-[(4-methylphenoxy)…

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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) 2.66 9.74 -36.54 1 6 1 57 332.453 7 ↓
Mid Mid (pH 6-8) 2.66 7.32 -12.51 0 6 0 56 331.445 7 ↓

Analogs

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Popular Name: N-[[6-[(2-ethoxyphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl]-N-ethyl-ethanam N-[[6-[(2-ethoxyphenoxy)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) 2.20 9.88 -37.45 1 7 1 66 362.479 9 ↓
Mid Mid (pH 6-8) 2.20 7.45 -15.25 0 7 0 65 361.471 9 ↓

Analogs

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Popular Name: N-ethyl-N-[[6-[(1R)-1-phenoxyethyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl]ethanamine N-ethyl-N-[[6-[(1R)-1-phenoxyeth…

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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 9.59 -36.36 1 6 1 57 332.453 7 ↓
Mid Mid (pH 6-8) 2.57 7.1 -10.1 0 6 0 56 331.445 7 ↓

Analogs

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Popular Name: N-ethyl-N-[[6-[(1S)-1-phenoxyethyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl]ethanamine N-ethyl-N-[[6-[(1S)-1-phenoxyeth…

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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 9.61 -37.38 1 6 1 57 332.453 7 ↓
Mid Mid (pH 6-8) 2.57 7.16 -9.63 0 6 0 56 331.445 7 ↓

Analogs

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Popular Name: N-ethyl-N-[[6-[(2-isopropyl-5-methyl-phenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]me N-ethyl-N-[[6-[(2-isopropyl-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) 3.62 11.75 -36.63 1 6 1 57 374.534 8 ↓
Mid Mid (pH 6-8) 3.62 9.32 -11.91 0 6 0 56 373.526 8 ↓

Parameters Provided:

ring.id = 506748
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 = 506748 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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