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

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,2'R,4aS,6S,7S,9S,10R,10aR)-10-acetoxy-6,9-dihydroxy-1,1,2',4a-tetramethyl-5,8-dioxo-spiro[3,4,6 [(2S,2'R,4aS,6S,7S,9S,10R,10aR)-…

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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) 1.20 6.45 -13.77 2 8 0 127 448.512 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,2'S,4aS,6S,7S,9S,10R,10aR)-10-acetoxy-6,9-dihydroxy-1,1,2',4a-tetramethyl-5,8-dioxo-spiro[3,4,6 [(2S,2'S,4aS,6S,7S,9S,10R,10aR)-…

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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) 1.20 6.55 -13.8 2 8 0 127 448.512 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,2'R,4aS,6S,7R,9S,10R,10aR)-10-acetoxy-6,9-dihydroxy-1,1,2',4a-tetramethyl-5,8-dioxo-spiro[3,4,6 [(2S,2'R,4aS,6S,7R,9S,10R,10aR)-…

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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) 1.20 6.49 -13.6 2 8 0 127 448.512 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,2'S,4aS,6S,7R,9S,10R,10aR)-10-acetoxy-6,9-dihydroxy-1,1,2',4a-tetramethyl-5,8-dioxo-spiro[3,4,6 [(2S,2'S,4aS,6S,7R,9S,10R,10aR)-…

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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) 1.20 6.98 -13.85 2 8 0 127 448.512 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,2'R,4aS,6S,7S,9S,10R,10aR)-6,9,10-trihydroxy-1,1,2',4a-tetramethyl-5,8-dioxo-spiro[3,4,6,9,10,1 [(2S,2'R,4aS,6S,7S,9S,10R,10aR)-…

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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) 0.50 2.97 -11.89 3 7 0 121 406.475 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,2'S,4aS,6S,7S,9S,10R,10aR)-6,9,10-trihydroxy-1,1,2',4a-tetramethyl-5,8-dioxo-spiro[3,4,6,9,10,1 [(2S,2'S,4aS,6S,7S,9S,10R,10aR)-…

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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) 0.50 3.07 -12.73 3 7 0 121 406.475 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,2'R,4aS,6S,7R,9S,10R,10aR)-6,9,10-trihydroxy-1,1,2',4a-tetramethyl-5,8-dioxo-spiro[3,4,6,9,10,1 [(2S,2'R,4aS,6S,7R,9S,10R,10aR)-…

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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) 0.50 3.14 -12.43 3 7 0 121 406.475 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,2'S,4aS,6S,7R,9S,10R,10aR)-6,9,10-trihydroxy-1,1,2',4a-tetramethyl-5,8-dioxo-spiro[3,4,6,9,10,1 [(2S,2'S,4aS,6S,7R,9S,10R,10aR)-…

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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) 0.50 3.11 -12.49 3 7 0 121 406.475 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R,2S,2'R,4aS,6S,7S,9S,10R,10aR)-2-acetoxy-6,9,10-trihydroxy-1,2',4a-trimethyl-5,8-dioxo-spiro[3,4 [(1R,2S,2'R,4aS,6S,7S,9S,10R,10a…

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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) 0.03 4.3 -18.43 3 9 0 147 464.511 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R,2S,2'S,4aS,6S,7S,9S,10R,10aR)-2-acetoxy-6,9,10-trihydroxy-1,2',4a-trimethyl-5,8-dioxo-spiro[3,4 [(1R,2S,2'S,4aS,6S,7S,9S,10R,10a…

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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) 0.03 4.36 -18.58 3 9 0 147 464.511 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R,2S,2'R,4aS,6S,7R,9S,10R,10aR)-2-acetoxy-6,9,10-trihydroxy-1,2',4a-trimethyl-5,8-dioxo-spiro[3,4 [(1R,2S,2'R,4aS,6S,7R,9S,10R,10a…

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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) 0.03 4.44 -19.03 3 9 0 147 464.511 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R,2S,2'S,4aS,6S,7R,9S,10R,10aR)-2-acetoxy-6,9,10-trihydroxy-1,2',4a-trimethyl-5,8-dioxo-spiro[3,4 [(1R,2S,2'S,4aS,6S,7R,9S,10R,10a…

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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) 0.03 4.4 -18.76 3 9 0 147 464.511 5 ↓

Analogs

4268252
4268252
4268253
4268253

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1R,2'R,4aS,6R,7S,9S,10S,10aS)-9-formyloxy-6,10-dihydroxy-1,2',4a-trimethyl-5,8-dioxo-spiro[3,4,6 2-[(1R,2'R,4aS,6R,7S,9S,10S,10aS…

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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) 0.34 4.09 -55.77 2 8 -1 141 419.45 4 ↓

Analogs

4268252
4268252
4268253
4268253

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1R,2'R,4aS,6R,7S,9S,10R,10aS)-9-formyloxy-6,10-dihydroxy-1,2',4a-trimethyl-5,8-dioxo-spiro[3,4,6 2-[(1R,2'R,4aS,6R,7S,9S,10R,10aS…

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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) 0.34 4.39 -57.34 2 8 -1 141 419.45 4 ↓

Parameters Provided:

ring.id = 134718
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 = 134718 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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