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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: (8S,9S,10S,13S,14S,16S)-13-methyl-10-(methylsulfanylmethyl)-16-octyl-2,6,7,8,9,11,12,14,15,16-decahy (8S,9S,10S,13S,14S,16S)-13-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) 7.10 16.24 -12.06 0 2 0 34 444.725 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8R,9R,10R,13R,14S)-10-hydroxy-13-methyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanth (8R,9R,10R,13R,14S)-10-hydroxy-1…

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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) 1.87 6.23 -9.74 1 3 0 54 288.387 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8R,9S,10R,13R,14S)-10-hydroxy-13-methyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanth (8R,9S,10R,13R,14S)-10-hydroxy-1…

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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) 1.87 5.76 -10.97 1 3 0 54 288.387 0 ↓

Analogs

38600080
38600080
38600085
38600085
38600089
38600089
6067864
6067864

Draw Identity 99% 90% 80% 70%

Popular Name: (6S,8R,9R,10R,13S,14R)-6-bromo-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phe (6S,8R,9R,10R,13S,14R)-6-bromo-1…

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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) 3.51 9.66 -16.08 0 2 0 34 365.311 0 ↓

Analogs

6067864
6067864

Draw Identity 99% 90% 80% 70%

Popular Name: (6S,8R,9S,10R,13S,14R)-6-bromo-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phe (6S,8R,9S,10R,13S,14R)-6-bromo-1…

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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) 3.51 9.88 -11.45 0 2 0 34 365.311 0 ↓

Analogs

6067864
6067864

Draw Identity 99% 90% 80% 70%

Popular Name: (6R,8R,9R,10R,13S,14R)-6-bromo-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phe (6R,8R,9R,10R,13S,14R)-6-bromo-1…

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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) 3.51 9.6 -10.7 0 2 0 34 365.311 0 ↓

Analogs

6067864
6067864

Draw Identity 99% 90% 80% 70%

Popular Name: (6R,8R,9S,10R,13S,14R)-6-bromo-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phe (6R,8R,9S,10R,13S,14R)-6-bromo-1…

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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) 3.51 9.81 -9.5 0 2 0 34 365.311 0 ↓

Parameters Provided:

ring.id = 234941
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 = 234941 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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