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Analogs

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Popular Name: 1-(1,3,4-thiadiazol-2-yl)-1,2,4-triazol-3-amine 1-(1,3,4-thiadiazol-2-yl)-1,2,4-…

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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) -0.32 4.17 -9.16 2 6 0 83 168.185 1 ↓

Analogs

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Popular Name: 1-(1,3,4-thiadiazol-2-yl)-1,2,4-triazole-3-carbonitrile 1-(1,3,4-thiadiazol-2-yl)-1,2,4-…

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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) -0.27 4.03 -8.29 0 6 0 80 178.18 1 ↓

Analogs

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

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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) -0.84 1.47 -48.99 3 6 1 84 183.22 2 ↓
Hi High (pH 8-9.5) -0.84 1.07 -9.58 2 6 0 83 182.212 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(1,3,4-thiadiazol-2-yl)-1,2,4-triazole-3-carbothioamide 1-(1,3,4-thiadiazol-2-yl)-1,2,4-…

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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) -0.22 3.07 -14.27 2 6 0 83 212.263 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(1,2,4-triazol-1-yl)-1,3,4-thiadiazole 2-(1,2,4-triazol-1-yl)-1,3,4-thi…

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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) -0.13 4.32 -9.14 0 5 0 57 153.17 1 ↓

Parameters Provided:

ring.id = 507018
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 = 507018 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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