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Analogs

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Popular Name: 3-(3,5-dimethoxyphenyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide 3-(3,5-dimethoxyphenyl)-N-(3-phe…

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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) 4.12 7.79 -12.81 1 6 0 73 369.446 7 ↓

Analogs

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Popular Name: 3-(2,5-dimethoxyphenyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide 3-(2,5-dimethoxyphenyl)-N-(3-phe…

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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) 4.12 7.82 -12.21 1 6 0 73 369.446 7 ↓
Hi High (pH 8-9.5) 4.30 6.37 -46.2 0 6 -1 80 368.438 7 ↓

Analogs

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Popular Name: N-(3-phenyl-1,2,4-thiadiazol-5-yl)-3-(3,4,5-trimethoxyphenyl)propanamide N-(3-phenyl-1,2,4-thiadiazol-5-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) 3.71 8.3 -16.29 1 7 0 83 399.472 8 ↓
Hi High (pH 8-9.5) 3.89 6.85 -43.47 0 7 -1 89 398.464 8 ↓

Analogs

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Popular Name: 3-(3-fluoro-4-methoxy-phenyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide 3-(3-fluoro-4-methoxy-phenyl)-N-…

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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) 4.22 8.56 -14.69 1 5 0 64 357.41 6 ↓
Hi High (pH 8-9.5) 4.41 7.11 -42.86 0 5 -1 70 356.402 6 ↓

Analogs

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Popular Name: 3-phenyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide 3-phenyl-N-(3-phenyl-1,2,4-thiad…

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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) 4.07 9.19 -10.47 1 4 0 55 309.394 5 ↓
Hi High (pH 8-9.5) 4.26 7.74 -41.57 0 4 -1 61 308.386 5 ↓

Analogs

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Popular Name: 3-(3,4-dimethoxyphenyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide 3-(3,4-dimethoxyphenyl)-N-(3-phe…

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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) 3.72 8.38 -14.72 1 6 0 73 369.446 7 ↓
Hi High (pH 8-9.5) 3.91 6.93 -43.69 0 6 -1 80 368.438 7 ↓

Analogs

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Popular Name: 3-(4-methoxyphenyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide 3-(4-methoxyphenyl)-N-(3-phenyl-…

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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) 4.13 8.49 -12.15 1 5 0 64 339.42 6 ↓
Hi High (pH 8-9.5) 4.32 7.04 -42.08 0 5 -1 70 338.412 6 ↓

Parameters Provided:

ring.id = 179032
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 = 179032 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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