UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

4167375
4167375

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Popular Name: N-benzyl-2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide N-benzyl-2-[(3-phenyl-1,2,4-thia…

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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) 3.67 -3.47 -11.49 1 4 0 54 341.461 6 ↓

Analogs

4167376
4167376

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Popular Name: N-[(4-fluorophenyl)methyl]-2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide N-[(4-fluorophenyl)methyl]-2-[(3…

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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) 3.84 -2.73 -12.73 1 4 0 54 359.451 6 ↓

Analogs

2917476
2917476

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Popular Name: N-[(2-chlorophenyl)methyl]-2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide N-[(2-chlorophenyl)methyl]-2-[(3…

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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) 4.30 -3.64 -11.93 1 4 0 54 375.906 6 ↓

Analogs

4167286
4167286

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Popular Name: N-benzyl-2-[[3-(p-tolyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide N-benzyl-2-[[3-(p-tolyl)-1,2,4-t…

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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 -3.14 -11.39 1 4 0 54 355.488 6 ↓

Analogs

4167287
4167287

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Popular Name: N-[(4-fluorophenyl)methyl]-2-[[3-(p-tolyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide N-[(4-fluorophenyl)methyl]-2-[[3…

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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) 4.29 -2.4 -12.55 1 4 0 54 373.478 6 ↓

Analogs

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Popular Name: N-benzyl-2-[[3-(o-tolyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide N-benzyl-2-[[3-(o-tolyl)-1,2,4-t…

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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) 4.08 -3.01 -11.24 1 4 0 54 355.488 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-fluorophenyl)methyl]-2-[[3-(o-tolyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide N-[(4-fluorophenyl)methyl]-2-[[3…

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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) 4.24 -2.27 -12.43 1 4 0 54 373.478 6 ↓

Parameters Provided:

ring.id = 246196
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 = 246196 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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