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

Analogs

34540406
34540406
34540408
34540408
34540410
34540410
34574992
34574992

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3aS,3bS,9aS,9bR,11aS)-1-hydroxy-1,9a,11a-trimethyl-2,3,3a,3b,4,5,9,9b,10,11-decahydroindeno[4,5- (1S,3aS,3bS,9aS,9bR,11aS)-1-hydr…

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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) 3.84 6.77 -9.62 1 3 0 47 304.43 0 ↓

Analogs

34540406
34540406
34540408
34540408
34540410
34540410
34574992
34574992

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3aR,3bS,9aS,9bR,11aS)-1-hydroxy-1,9a,11a-trimethyl-2,3,3a,3b,4,5,9,9b,10,11-decahydroindeno[4,5- (1S,3aR,3bS,9aS,9bR,11aS)-1-hydr…

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) 3.84 7.19 -9.53 1 3 0 47 304.43 0 ↓

Analogs

34540406
34540406
34540408
34540408
34540410
34540410
34574992
34574992

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3aS,3bS,9aS,9bR,11aR)-1-hydroxy-1,9a,11a-trimethyl-2,3,3a,3b,4,5,9,9b,10,11-decahydroindeno[4,5- (1S,3aS,3bS,9aS,9bR,11aR)-1-hydr…

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) 3.84 7.07 -8.98 1 3 0 47 304.43 0 ↓

Analogs

34540406
34540406
34540408
34540408
34540410
34540410
34574992
34574992

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3aR,3bS,9aS,9bR,11aR)-1-hydroxy-1,9a,11a-trimethyl-2,3,3a,3b,4,5,9,9b,10,11-decahydroindeno[4,5- (1S,3aR,3bS,9aS,9bR,11aR)-1-hydr…

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) 3.84 6.88 -9.67 1 3 0 47 304.43 0 ↓

Parameters Provided:

ring.id = 515948
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 = 515948 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=515948&filter.purchasability=annotated

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