UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

38287828
38287828
44608187
44608187
22046242
22046242
22046246
22046246
22046251
22046251

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,4aR,6R,7S,8R,8aS)-7-acetamido-6-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxi [(2S,4aR,6R,7S,8R,8aS)-7-acetami…

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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) 1.79 6.02 -14.62 2 8 0 103 413.426 5 ↓

Analogs

38287828
38287828
44608187
44608187
22046242
22046242
22046246
22046246
22046251
22046251

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,4aS,6R,7S,8R,8aS)-7-acetamido-6-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxi [(2S,4aS,6R,7S,8R,8aS)-7-acetami…

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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) 1.79 6.06 -16.12 2 8 0 103 413.426 5 ↓

Analogs

38287828
38287828
44608187
44608187
22046242
22046242
22046246
22046246
22046251
22046251

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,4aR,6R,7S,8R,8aS)-7-acetamido-6-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxi [(2R,4aR,6R,7S,8R,8aS)-7-acetami…

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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) 1.79 6.44 -15.93 2 8 0 103 413.426 5 ↓

Analogs

38287828
38287828
44608187
44608187
22046242
22046242
22046246
22046246
22046251
22046251

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,4aS,6R,7S,8R,8aS)-7-acetamido-6-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxi [(2R,4aS,6R,7S,8R,8aS)-7-acetami…

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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) 1.79 6.47 -14.62 2 8 0 103 413.426 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,4aS,6S,7R,8S,8aR)-6-methoxy-7-methylsulfonyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1 [(2S,4aS,6S,7R,8S,8aR)-6-methoxy…

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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) 2.62 7.02 -17.71 0 9 0 107 464.492 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,4aS,6R,7R,8S,8aR)-6-methoxy-7-methylsulfonyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1 [(2S,4aS,6R,7R,8S,8aR)-6-methoxy…

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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) 2.62 7.6 -17.23 0 9 0 107 464.492 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,4aR,6S,7R,8S,8aR)-6-methoxy-7-methylsulfonyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1 [(2S,4aR,6S,7R,8S,8aR)-6-methoxy…

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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) 2.62 6.95 -17.13 0 9 0 107 464.492 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,4aR,6R,7R,8S,8aR)-6-methoxy-7-methylsulfonyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1 [(2S,4aR,6R,7R,8S,8aR)-6-methoxy…

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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) 2.62 7.52 -15.87 0 9 0 107 464.492 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,4aS,6S,7R,8S,8aR)-6-methoxy-7-methylsulfonyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1 [(2S,4aS,6S,7R,8S,8aR)-6-methoxy…

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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) 2.58 7.73 -19.03 0 12 0 152 509.489 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,4aS,6R,7R,8S,8aR)-6-methoxy-7-methylsulfonyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1 [(2S,4aS,6R,7R,8S,8aR)-6-methoxy…

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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) 2.58 8.32 -18.65 0 12 0 152 509.489 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,4aR,6S,7R,8S,8aR)-6-methoxy-7-methylsulfonyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1 [(2S,4aR,6S,7R,8S,8aR)-6-methoxy…

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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) 2.58 7.67 -18.52 0 12 0 152 509.489 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,4aR,6R,7R,8S,8aR)-6-methoxy-7-methylsulfonyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1 [(2S,4aR,6R,7R,8S,8aR)-6-methoxy…

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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) 2.58 8.24 -17.58 0 12 0 152 509.489 8 ↓

Parameters Provided:

ring.id = 4307
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 = 4307 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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