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

Analogs

49000123
49000123
49000125
49000125
27727666
27727666

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S,4R,5R)-5-[6-[benzyl(4-hydroxybutyl)amino]purin-9-yl]-N-cyclopropyl-3,4-dihydroxy-tetrahydrofu (2S,3S,4R,5R)-5-[6-[benzyl(4-hyd…

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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) 1.18 6.17 -18.31 4 11 0 146 482.541 10 ↓

Analogs

49000123
49000123
49000125
49000125
49785907
49785907
12405584
12405584

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S,4R,5R)-5-[6-[benzyl(2-cyanoethyl)amino]purin-9-yl]-N-cyclopropyl-3,4-dihydroxy-tetrahydrofura (2S,3S,4R,5R)-5-[6-[benzyl(2-cya…

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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) 0.73 8.29 -19.78 3 11 0 149 463.498 8 ↓

Analogs

49785907
49785907
12405584
12405584

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S,4R,5R)-5-[6-[benzyl(methyl)amino]purin-9-yl]-N-cyclopropyl-3,4-dihydroxy-tetrahydrofuran-2-ca (2S,3S,4R,5R)-5-[6-[benzyl(methy…

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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) 1.27 6.86 -16.86 3 10 0 126 424.461 6 ↓

Analogs

49785907
49785907
12405584
12405584

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S,4R,5R)-5-[6-[benzyl(ethyl)amino]purin-9-yl]-N-cyclopropyl-3,4-dihydroxy-tetrahydrofuran-2-car (2S,3S,4R,5R)-5-[6-[benzyl(ethyl…

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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) 1.64 7.8 -16.57 3 10 0 126 438.488 7 ↓

Analogs

49785907
49785907
27727666
27727666

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S,4R,5R)-5-[6-[benzyl(2-hydroxyethyl)amino]purin-9-yl]-N-cyclopropyl-3,4-dihydroxy-tetrahydrofu (2S,3S,4R,5R)-5-[6-[benzyl(2-hyd…

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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) 0.64 5.01 -18.67 4 11 0 146 454.487 8 ↓

Analogs

49785907
49785907
12405584
12405584

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S,4R,5R)-5-[6-[benzyl(2-dimethylaminoethyl)amino]purin-9-yl]-N-cyclopropyl-3,4-dihydroxy-tetrah (2S,3S,4R,5R)-5-[6-[benzyl(2-dim…

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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) 1.30 9.28 -50.85 4 11 1 130 482.565 9 ↓
Hi High (pH 8-9.5) 1.30 6.81 -16.49 3 11 0 129 481.557 9 ↓

Parameters Provided:

ring.id = 603157
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 = 603157 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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