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Analogs

20388117
20388117

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Popular Name: 3-[(3-chlorophenyl)methyl]-1,2,4-thiadiazol-5-amine 3-[(3-chlorophenyl)methyl]-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) 2.66 4.49 -6.95 2 3 0 52 225.704 2 ↓

Analogs

20388117
20388117

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Popular Name: 3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine 3-[(4-fluorophenyl)methyl]-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) 2.17 4.05 -6.9 2 3 0 52 209.249 2 ↓

Analogs

20388117
20388117

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Popular Name: 3-[(4-bromophenyl)methyl]-1,2,4-thiadiazol-5-amine 3-[(4-bromophenyl)methyl]-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) 2.82 4.6 -6.38 2 3 0 52 270.155 2 ↓

Analogs

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Popular Name: 4-[(5-amino-1,2,4-thiadiazol-3-yl)methyl]phenol 4-[(5-amino-1,2,4-thiadiazol-3-y…

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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 1.13 -8.31 3 4 0 72 207.258 2 ↓

Analogs

20388117
20388117

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Popular Name: 3-[(4-tert-butyl-2,6-dimethyl-phenyl)methyl]-1,2,4-thiadiazol-5-amine 3-[(4-tert-butyl-2,6-dimethyl-ph…

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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) 4.47 7.8 -6.2 2 3 0 52 275.421 3 ↓

Analogs

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Popular Name: 3-[(2-chloro-4-fluoro-phenyl)methyl]-1,2,4-thiadiazol-5-amine 3-[(2-chloro-4-fluoro-phenyl)met…

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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) 2.78 4.58 -7.04 2 3 0 52 243.694 2 ↓

Analogs

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Popular Name: 3-(1-methyl-1-phenyl-ethyl)-1,2,4-thiadiazol-5-amine 3-(1-methyl-1-phenyl-ethyl)-1,2,…

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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) 2.43 4.87 -6.88 2 3 0 52 219.313 2 ↓

Analogs

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Popular Name: 3-(1-ethyl-1-phenyl-propyl)-1,2,4-thiadiazol-5-amine 3-(1-ethyl-1-phenyl-propyl)-1,2,…

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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) 3.44 6.71 -6.03 2 3 0 52 247.367 4 ↓

Analogs

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Popular Name: 3-[(3,5-difluorophenyl)methyl]-1,2,4-thiadiazol-5-amine 3-[(3,5-difluorophenyl)methyl]-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) 2.26 4.12 -6.53 2 3 0 52 227.239 2 ↓

Parameters Provided:

ring.id = 109693
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 = 109693 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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