UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 5-(dimethylamino)-3-[[methyl(phenethyl)amino]methyl]-1,3,4-thiadiazole-2-thione 5-(dimethylamino)-3-[[methyl(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) 2.44 8.31 -9.37 0 4 0 24 308.476 6 ↓
Mid Mid (pH 6-8) 2.44 10.7 -38.56 1 4 1 26 309.484 6 ↓

Analogs

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Popular Name: 5-(dimethylamino)-3-[[2-(4-fluorophenyl)ethyl-methyl-amino]methyl]-1,3,4-thiadiazole-2-thione 5-(dimethylamino)-3-[[2-(4-fluor…

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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) 2.60 8.37 -10.23 0 4 0 24 326.466 6 ↓
Mid Mid (pH 6-8) 2.60 10.8 -43.38 1 4 1 26 327.474 6 ↓

Analogs

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Popular Name: 3-[[allyl(phenethyl)amino]methyl]-5-(dimethylamino)-1,3,4-thiadiazole-2-thione 3-[[allyl(phenethyl)amino]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) 3.08 9.67 -9.2 0 4 0 24 334.514 8 ↓
Lo Low (pH 4.5-6) 3.08 11.93 -36.55 1 4 1 26 335.522 8 ↓

Analogs

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Popular Name: 5-(dimethylamino)-3-[[2-(2-methoxyphenyl)ethyl-methyl-amino]methyl]-1,3,4-thiadiazole-2-thione 5-(dimethylamino)-3-[[2-(2-metho…

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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) 2.44 7.66 -10.57 0 5 0 34 338.502 7 ↓
Mid Mid (pH 6-8) 2.44 10.06 -35.82 1 5 1 35 339.51 7 ↓

Parameters Provided:

ring.id = 297491
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 = 297491 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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