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

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3aR,5R,5aS,8aS,9S,9aR)-9-hydroxy-5,8a-trimethyl-methylene-spiro[3a,4,5,5a,9,9a-hexahydroazuleno[ (1R,3aR,5R,5aS,8aS,9S,9aR)-9-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) 0.49 9.67 -15.87 1 7 0 107 494.584 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3aR,5S,5aS,8aS,9S,9aR)-9-hydroxy-5,8a-trimethyl-methylene-spiro[3a,4,5,5a,9,9a-hexahydroazuleno[ (1R,3aR,5S,5aS,8aS,9S,9aR)-9-hyd…

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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) 0.49 9.64 -15.79 1 7 0 107 494.584 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3aS,5R,5aS,8aS,9S,9aR)-9-hydroxy-5,8a-trimethyl-methylene-spiro[3a,4,5,5a,9,9a-hexahydroazuleno[ (1R,3aS,5R,5aS,8aS,9S,9aR)-9-hyd…

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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) 0.49 10.59 -16.96 1 7 0 107 494.584 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3aS,5S,5aS,8aS,9S,9aR)-9-hydroxy-5,8a-trimethyl-methylene-spiro[3a,4,5,5a,9,9a-hexahydroazuleno[ (1R,3aS,5S,5aS,8aS,9S,9aR)-9-hyd…

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) 0.49 10.58 -16.77 1 7 0 107 494.584 0 ↓

Parameters Provided:

ring.id = 40632
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 = 40632 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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