UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[(5,5-dioxo-3,4,6,7-tetrahydrothiopyrano[3,4-d]imidazol-2-yl)methyl]-2-methyl-propan-2-amine N-[(5,5-dioxo-3,4,6,7-tetrahydro…

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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) 0.66 1.28 -48.55 3 5 1 79 258.367 3 ↓
Hi High (pH 8-9.5) 0.66 0.86 -30.09 2 5 0 78 257.359 3 ↓
Hi High (pH 8-9.5) 0.66 0.05 -14.32 2 5 0 75 257.359 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5,5-dioxo-3,4,6,7-tetrahydrothiopyrano[3,4-d]imidazol-2-yl)methyl]-2-methyl-propan-1-amine N-[(5,5-dioxo-3,4,6,7-tetrahydro…

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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) 0.60 1.77 -53.15 3 5 1 79 258.367 4 ↓
Hi High (pH 8-9.5) 0.60 0.41 -12.88 2 5 0 75 257.359 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5,5-dioxo-3,4,6,7-tetrahydrothiopyrano[3,4-d]imidazol-2-yl)methyl]-2-methoxy-ethanamine N-[(5,5-dioxo-3,4,6,7-tetrahydro…

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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) -0.54 -0.54 -53.4 3 6 1 89 260.339 5 ↓
Mid Mid (pH 6-8) -0.54 -1.87 -16.51 2 6 0 84 259.331 5 ↓

Parameters Provided:

ring.id = 324625
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 = 324625 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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