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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

34550295
34550295
9631654
9631654

Draw Identity 99% 90% 80% 70%

Popular Name: 9-[(2S,4S,5S)-4-hydroxy-5-(hydroxymethyl)tetrahydrothiophen-2-yl]-1H-purin-6-one 9-[(2S,4S,5S)-4-hydroxy-5-(hydro…

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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) -1.32 1.61 -20.36 3 7 0 104 268.298 2 ↓
Hi High (pH 8-9.5) -0.86 -0.44 -52.29 2 7 -1 107 267.29 2 ↓

Analogs

34550295
34550295
9631654
9631654

Draw Identity 99% 90% 80% 70%

Popular Name: 9-[(2R,4S,5S)-4-hydroxy-5-(hydroxymethyl)tetrahydrothiophen-2-yl]-1H-purin-6-one 9-[(2R,4S,5S)-4-hydroxy-5-(hydro…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) -1.32 1.08 -21.61 3 7 0 104 268.298 2 ↓
Hi High (pH 8-9.5) -0.86 -0.99 -57.75 2 7 -1 107 267.29 2 ↓

Analogs

34550295
34550295
9631654
9631654

Draw Identity 99% 90% 80% 70%

Popular Name: 9-[(2R,4R,5S)-4-hydroxy-5-(hydroxymethyl)tetrahydrothiophen-2-yl]-1H-purin-6-one 9-[(2R,4R,5S)-4-hydroxy-5-(hydro…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) -1.32 0.24 -23.18 3 7 0 104 268.298 2 ↓
Hi High (pH 8-9.5) -0.86 -1.83 -60.42 2 7 -1 107 267.29 2 ↓

Parameters Provided:

ring.id = 590230
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 = 590230 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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