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

Analogs

36532566
36532566
36532568
36532568
36532570
36532570
38805652
38805652
38805655
38805655

Draw Identity 99% 90% 80% 70%

Popular Name: (8S,9S,10R,13R,14R,16S,17R)-17-[(E,1S)-1,5-dihydroxy-1,5-dimethyl-2-oxo-hex-3-enyl]-2,16-dihydroxy-4 (8S,9S,10R,13R,14R,16S,17R)-17-[…

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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) 2.69 6.15 -17.23 4 7 0 132 514.659 4 ↓

Analogs

36532568
36532568
36532570
36532570
38805652
38805652
38805655
38805655
36532564
36532564

Draw Identity 99% 90% 80% 70%

Popular Name: (8S,9S,10R,13R,14R,16R,17R)-17-[(E,1S)-1,5-dihydroxy-1,5-dimethyl-2-oxo-hex-3-enyl]-2,16-dihydroxy-4 (8S,9S,10R,13R,14R,16R,17R)-17-[…

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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) 2.69 4.45 -16.96 4 7 0 132 514.659 4 ↓

Analogs

36532570
36532570
38805652
38805652
38805655
38805655
36532564
36532564
36532566
36532566

Draw Identity 99% 90% 80% 70%

Popular Name: (8S,9S,10R,13R,14R,16S,17S)-17-[(E,1S)-1,5-dihydroxy-1,5-dimethyl-2-oxo-hex-3-enyl]-2,16-dihydroxy-4 (8S,9S,10R,13R,14R,16S,17S)-17-[…

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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) 2.69 4.17 -16.61 4 7 0 132 514.659 4 ↓

Analogs

36532564
36532564
36532566
36532566
36532568
36532568
4097803
4097803

Draw Identity 99% 90% 80% 70%

Popular Name: (8S,9S,10R,13R,14R,16R,17S)-17-[(E,1S)-1,5-dihydroxy-1,5-dimethyl-2-oxo-hex-3-enyl]-2,16-dihydroxy-4 (8S,9S,10R,13R,14R,16R,17S)-17-[…

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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) 2.69 5.78 -15.75 4 7 0 132 514.659 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 97 97

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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) 3.39 9.22 -16.22 3 8 0 138 556.696 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 97 97

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) 3.39 9.51 -15.97 3 8 0 138 556.696 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 97 97

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) 3.39 9.54 -16.5 3 8 0 138 556.696 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 97 97

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) 3.39 9.85 -15.67 3 8 0 138 556.696 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8S,9S,10S,13R,14R,16S,17R)-17-[(E,1S)-1,5-dihydroxy-1,5-dimethyl-2-oxo-hex-3-enyl]-2,16-dihydroxy-4 (8S,9S,10S,13R,14R,16S,17R)-17-[…

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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) 2.69 4.9 -16.72 4 7 0 132 514.659 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8S,9S,10S,13R,14R,16R,17R)-17-[(E,1S)-1,5-dihydroxy-1,5-dimethyl-2-oxo-hex-3-enyl]-2,16-dihydroxy-4 (8S,9S,10S,13R,14R,16R,17R)-17-[…

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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) 2.69 3.43 -18.23 4 7 0 132 514.659 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8S,9S,10S,13R,14R,16S,17S)-17-[(E,1S)-1,5-dihydroxy-1,5-dimethyl-2-oxo-hex-3-enyl]-2,16-dihydroxy-4 (8S,9S,10S,13R,14R,16S,17S)-17-[…

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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) 2.69 4.57 -13.74 4 7 0 132 514.659 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8S,9S,10S,13R,14R,16R,17S)-17-[(E,1S)-1,5-dihydroxy-1,5-dimethyl-2-oxo-hex-3-enyl]-2,16-dihydroxy-4 (8S,9S,10S,13R,14R,16R,17S)-17-[…

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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) 2.69 5.68 -12.72 4 7 0 132 514.659 4 ↓

Parameters Provided:

ring.id = 94198
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 = 94198 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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