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

Analogs

22055262
22055262
22055266
22055266
22055270
22055270
22055274
22055274

Draw Identity 99% 90% 80% 70%

Popular Name: [(3aS,4R,5R,6S,7S,7aS)-5,6,7-triacetoxyspiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,1'-cyclohexa [(3aS,4R,5R,6S,7S,7aS)-5,6,7-tri…

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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) 2.18 10.71 -18.09 0 10 0 124 428.434 8 ↓

Analogs

22055262
22055262
22055266
22055266
22055270
22055270
22055274
22055274

Draw Identity 99% 90% 80% 70%

Popular Name: [(3aS,4S,5R,6S,7S,7aS)-5,6,7-triacetoxyspiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,1'-cyclohexa [(3aS,4S,5R,6S,7S,7aS)-5,6,7-tri…

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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) 2.18 10.65 -17.12 0 10 0 124 428.434 8 ↓

Analogs

22055262
22055262
22055266
22055266
22055270
22055270
22055274
22055274

Draw Identity 99% 90% 80% 70%

Popular Name: [(3aR,4R,5R,6S,7S,7aS)-5,6,7-triacetoxyspiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,1'-cyclohexa [(3aR,4R,5R,6S,7S,7aS)-5,6,7-tri…

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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) 2.18 10.95 -19.27 0 10 0 124 428.434 8 ↓

Analogs

14555946
14555946
14555949
14555949
34552886
34552886
3650692
3650692
4100786
4100786

Draw Identity 99% 90% 80% 70%

Popular Name: (3aS,4R,5R,6R,7R,7aR)-spiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,1'-cyclohexane]-4,5,6,7-tetro (3aS,4R,5R,6R,7R,7aR)-spiro[3a,4…

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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) 0.23 -3.29 -5.8 4 6 0 99 260.286 0 ↓

Analogs

34552886
34552886
1318716
1318716
3650692
3650692
4100786
4100786

Draw Identity 99% 90% 80% 70%

Popular Name: (3aS,4R,5R,6S,7R,7aR)-spiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,1'-cyclohexane]-4,5,6,7-tetro (3aS,4R,5R,6S,7R,7aR)-spiro[3a,4…

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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) 0.23 -2.99 -7.61 4 6 0 99 260.286 0 ↓

Analogs

34552886
34552886
1318716
1318716
3650692
3650692
4100786
4100786

Draw Identity 99% 90% 80% 70%

Popular Name: (3aS,4R,5S,6R,7R,7aR)-spiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,1'-cyclohexane]-4,5,6,7-tetro (3aS,4R,5S,6R,7R,7aR)-spiro[3a,4…

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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) 0.23 -4.15 -9.81 4 6 0 99 260.286 0 ↓

Parameters Provided:

ring.id = 21389
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 = 21389 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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