UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-(2-aminoethyl)-1,3-dihydro-2$l^{6},1,3-benzothiadiazole-2,2-dione 1-(2-aminoethyl)-1,3-dihydro-2$l…

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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) -0.13 -1.33 -55.37 4 5 1 77 214.27 2 ↓
Hi High (pH 8-9.5) -0.13 -1.26 -64.38 3 5 0 79 213.262 2 ↓

Analogs

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Popular Name: 2,2-dioxo-1,3-dihydrobenzo[c][1,2,5]thiadiazol-5-amine 2,2-dioxo-1,3-dihydrobenzo[c][1,…

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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) -0.13 -3.22 -13.69 4 5 0 84 185.208 0 ↓

Analogs

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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) 1.03 4.11 -21.76 0 8 0 93 314.319 6 ↓

Analogs

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Popular Name: 3-[[1-[(3-cyanophenyl)methyl]-2,2-dioxo-benzo[c][1,2,5]thiadiazol-3-yl]methyl]benzonitrile 3-[[1-[(3-cyanophenyl)methyl]-2,…

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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) 3.56 10.28 -18.76 0 6 0 88 400.463 4 ↓

Parameters Provided:

ring.id = 47755
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 = 47755 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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