UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

7151259
7151259

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Popular Name: 2-[[4-(4-fluorophenyl)-5-thioxo-1,3,4-thiadiazol-2-yl]sulfanyl]-N,N-dimethyl-propanamide 2-[[4-(4-fluorophenyl)-5-thioxo-…

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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) 1.82 8 -10.72 0 4 0 38 343.474 4 ↓

Analogs

20892002
20892002
4933617
4933617
6543628
6543628
6543631
6543631

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Popular Name: methyl methyl

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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) 3.29 8.63 -8.78 0 4 0 44 346.886 5 ↓

Analogs

4933617
4933617
6543628
6543628
6543631
6543631

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Popular Name: methyl methyl

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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) 3.29 8.62 -8.88 0 4 0 44 346.886 5 ↓

Analogs

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Popular Name: potassium 4-phenyl-5-thioxo-4,5-dihydro-1,3,4-thiadiazole-2-thiolate potassium 4-phenyl-5-thioxo-4,5-…

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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) 2.18 6.45 -33.25 0 2 -1 18 225.343 1 ↓

Analogs

14566381
14566381

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Popular Name: (2R)-N-(isobutylcarbamoyl)-2-[(4-phenyl-5-thioxo-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide (2R)-N-(isobutylcarbamoyl)-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) 2.63 8.66 -20.05 2 6 0 76 396.563 6 ↓

Analogs

14566379
14566379

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Popular Name: (2S)-N-(isobutylcarbamoyl)-2-[(4-phenyl-5-thioxo-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide (2S)-N-(isobutylcarbamoyl)-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) 2.63 8.68 -20.32 2 6 0 76 396.563 6 ↓

Parameters Provided:

ring.id = 5146
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 = 5146 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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