UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (8S,9R,10S,11S,13S,14S,17S)-17-hydroxy-13-methyl-17-prop-1-ynyl-11-(4-vinylphenyl)-1,2,6,7,8,9,10,11 (8S,9R,10S,11S,13S,14S,17S)-17-h…

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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) 6.69 13.46 -7.99 1 2 0 37 414.589 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8S,9R,10S,11S,13S,14S,17R)-17-hydroxy-13-methyl-17-prop-1-ynyl-11-(4-vinylphenyl)-1,2,6,7,8,9,10,11 (8S,9R,10S,11S,13S,14S,17R)-17-h…

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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) 6.69 12.81 -9.84 1 2 0 37 414.589 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8S,9R,10S,11S,13S,14R,17S)-17-hydroxy-13-methyl-17-prop-1-ynyl-11-(4-vinylphenyl)-1,2,6,7,8,9,10,11 (8S,9R,10S,11S,13S,14R,17S)-17-h…

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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) 6.69 12.21 -9.33 1 2 0 37 414.589 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8S,9R,10S,11S,13S,14R,17R)-17-hydroxy-13-methyl-17-prop-1-ynyl-11-(4-vinylphenyl)-1,2,6,7,8,9,10,11 (8S,9R,10S,11S,13S,14R,17R)-17-h…

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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) 6.69 13.49 -9.2 1 2 0 37 414.589 2 ↓

Analogs

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Popular Name: (8S,9R,10S,11R,13R,14S,17R)-11-(4-ethylphenyl)-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,9,10,11 (8S,9R,10S,11R,13R,14S,17R)-11-(…

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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) 6.75 12.74 -9.07 1 2 0 37 416.605 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8S,9R,10S,11S,13R,14S,17R)-11-(4-ethylphenyl)-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,9,10,11 (8S,9R,10S,11S,13R,14S,17R)-11-(…

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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) 6.75 13.22 -9.11 1 2 0 37 416.605 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8S,9R,10S,11R,13S,14S,17R)-11-(4-ethylphenyl)-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,9,10,11 (8S,9R,10S,11R,13S,14S,17R)-11-(…

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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) 6.75 13 -8.53 1 2 0 37 416.605 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8S,9R,10S,11S,13S,14S,17R)-11-(4-ethylphenyl)-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,9,10,11 (8S,9R,10S,11S,13S,14S,17R)-11-(…

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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) 6.75 13.13 -9.22 1 2 0 37 416.605 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8S,9R,10S,11S,13S,14S,17S)-11-(4-acetylphenyl)-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,9,10,1 (8S,9R,10S,11S,13S,14S,17S)-11-(…

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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) 5.74 12.79 -14.04 1 3 0 54 430.588 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8S,9R,10S,11S,13S,14S,17R)-11-(4-acetylphenyl)-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,9,10,1 (8S,9R,10S,11S,13S,14S,17R)-11-(…

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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) 5.74 12.13 -16.41 1 3 0 54 430.588 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8S,9R,10S,11S,13S,14R,17S)-11-(4-acetylphenyl)-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,9,10,1 (8S,9R,10S,11S,13S,14R,17S)-11-(…

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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) 5.74 11.53 -15.71 1 3 0 54 430.588 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8S,9R,10S,11S,13S,14R,17R)-11-(4-acetylphenyl)-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,9,10,1 (8S,9R,10S,11S,13S,14R,17R)-11-(…

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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) 5.74 12.82 -15.49 1 3 0 54 430.588 2 ↓

Parameters Provided:

ring.id = 197688
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 = 197688 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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