UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

11996184
11996184

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Popular Name: N-methyl-N-[[5-methylsulfanyl-4-[[(2S)-tetrahydrofuran-2-yl]methyl]-1,2,4-triazol-3-yl]methyl]propan N-methyl-N-[[5-methylsulfanyl-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) 1.54 0.93 -39.84 1 5 1 44 285.437 7 ↓

Analogs

11996183
11996183

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Popular Name: N-methyl-N-[[5-methylsulfanyl-4-[[(2R)-tetrahydrofuran-2-yl]methyl]-1,2,4-triazol-3-yl]methyl]propan N-methyl-N-[[5-methylsulfanyl-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) 1.54 0.98 -38.57 1 5 1 44 285.437 7 ↓

Analogs

23368333
23368333

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Popular Name: 3-[5-[2-(diallylamino)-2-oxo-ethyl]sulfanyl-4-[[(2S)-tetrahydrofuran-2-yl]methyl]-1,2,4-triazol-3-yl 3-[5-[2-(diallylamino)-2-oxo-eth…

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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) 0.68 6.84 -19.08 2 8 0 103 393.513 12 ↓

Analogs

23368331
23368331

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Popular Name: 3-[5-[2-(diallylamino)-2-oxo-ethyl]sulfanyl-4-[[(2R)-tetrahydrofuran-2-yl]methyl]-1,2,4-triazol-3-yl 3-[5-[2-(diallylamino)-2-oxo-eth…

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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) 0.68 6.58 -18.42 2 8 0 103 393.513 12 ↓

Parameters Provided:

ring.id = 67857
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 = 67857 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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