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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: dimethyl dimethyl

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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) 6.94 16.37 -13.87 0 5 0 70 542.732 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: dimethyl dimethyl

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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) 6.94 16.16 -12.66 0 5 0 70 542.732 6 ↓

Analogs

43544019
43544019
43544020
43544020

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3aS,5aR,5bR,7aR,11aR,11bR,13aS,13bS)-1-[1-(hydroxymethyl)vinyl]-3a-methoxycarbonyl-5a,5b,8,8,11a (1R,3aS,5aR,5bR,7aR,11aR,11bR,13…

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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) 5.39 13.05 -68.77 1 6 -1 104 525.706 5 ↓

Analogs

43544019
43544019
43544020
43544020

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3aS,5aR,5bR,7aR,11aR,11bR,13aR,13bS)-1-[1-(hydroxymethyl)vinyl]-3a-methoxycarbonyl-5a,5b,8,8,11a (1R,3aS,5aR,5bR,7aR,11aR,11bR,13…

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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) 5.39 12.89 -64.83 1 6 -1 104 525.706 5 ↓

Analogs

40892933
40892933
40894459
40894459
4104796
4104796
4104797
4104797

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Popular Name: isopropenyl-hexamethyl-BLAHone isopropenyl-hexamethyl-BLAHone

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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) 8.13 14.37 -4.81 0 1 0 17 422.697 1 ↓

Analogs

40892933
40892933
40894459
40894459
4104796
4104796
4104797
4104797

Draw Identity 99% 90% 80% 70%

Popular Name: isopropenyl-hexamethyl-BLAHone isopropenyl-hexamethyl-BLAHone

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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) 8.13 14.17 -5.05 0 1 0 17 422.697 1 ↓

Analogs

40892933
40892933
40894459
40894459
4104796
4104796
4104797
4104797

Draw Identity 99% 90% 80% 70%

Popular Name: Glochidone Glochidone

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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) 8.13 14.57 -4.76 0 1 0 17 422.697 1 ↓

Analogs

40892933
40892933
40894459
40894459
4104796
4104796
4104797
4104797

Draw Identity 99% 90% 80% 70%

Popular Name: isopropenyl-hexamethyl-BLAHone isopropenyl-hexamethyl-BLAHone

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) 8.13 14.14 -4.54 0 1 0 17 422.697 1 ↓

Parameters Provided:

ring.id = 3999
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 = 3999 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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