UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

4167389
4167389

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Popular Name: 1-phenyl-2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanone 1-phenyl-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) 4.32 -1.18 -10.73 0 3 0 42 312.419 5 ↓

Analogs

4167390
4167390

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Popular Name: 1-(4-chlorophenyl)-2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanone 1-(4-chlorophenyl)-2-[(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) 5.00 -1.33 -10.65 0 3 0 42 346.864 5 ↓

Analogs

4167391
4167391
3007403
3007403

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Popular Name: 1-(4-methoxyphenyl)-2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanone 1-(4-methoxyphenyl)-2-[(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) 4.38 -1.14 -11.94 0 4 0 52 342.445 6 ↓

Analogs

4167311
4167311

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Popular Name: 1-phenyl-2-[[3-(p-tolyl)-1,2,4-thiadiazol-5-yl]sulfanyl]ethanone 1-phenyl-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) 4.77 -0.86 -10.57 0 3 0 42 326.446 5 ↓

Analogs

4167312
4167312

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Popular Name: BRD-K64604275-001-01-3 BRD-K64604275-001-01-3

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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) 5.45 -1 -10.49 0 3 0 42 360.891 5 ↓

Analogs

4167315
4167315
3007403
3007403

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Popular Name: 1-(4-methoxyphenyl)-2-[[3-(p-tolyl)-1,2,4-thiadiazol-5-yl]sulfanyl]ethanone 1-(4-methoxyphenyl)-2-[[3-(p-tol…

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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) 4.82 -0.82 -11.73 0 4 0 52 356.472 6 ↓

Analogs

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Popular Name: BRD-K74376839-001-01-5 BRD-K74376839-001-01-5

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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) 4.80 -0.82 -11.97 0 4 0 52 356.472 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[3-(o-tolyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-1-phenyl-ethanone 2-[[3-(o-tolyl)-1,2,4-thiadiazol…

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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) 4.72 -0.72 -10.47 0 3 0 42 326.446 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-chlorophenyl)-2-[[3-(o-tolyl)-1,2,4-thiadiazol-5-yl]sulfanyl]ethanone 1-(4-chlorophenyl)-2-[[3-(o-toly…

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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) 5.40 10.14 -12.27 0 3 0 43 360.891 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-methoxyphenyl)-2-[[3-(o-tolyl)-1,2,4-thiadiazol-5-yl]sulfanyl]ethanone 1-(4-methoxyphenyl)-2-[[3-(o-tol…

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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) 4.78 -0.69 -11.69 0 4 0 52 356.472 6 ↓

Parameters Provided:

ring.id = 246212
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 = 246212 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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