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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8S,9R,10S,11S,13R,14S,17R)-17-(methoxymethyl)-13-methyl-11-[4-(3-pyridyl)phenyl]-2,3,6,7,8,9,10,11, (8S,9R,10S,11S,13R,14S,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) 7.15 12.62 -5.85 1 3 0 42 457.658 4 ↓
Lo Low (pH 4.5-6) 7.15 13.08 -37.11 2 3 1 44 458.666 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8S,9R,10S,11S,13S,14S,17R)-17-(methoxymethyl)-13-methyl-11-[4-(3-pyridyl)phenyl]-2,3,6,7,8,9,10,11, (8S,9R,10S,11S,13S,14S,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) 7.15 12.56 -5.84 1 3 0 42 457.658 4 ↓
Lo Low (pH 4.5-6) 7.15 13.02 -35.31 2 3 1 44 458.666 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8S,9R,10S,11R,13R,14S,17R)-17-(methoxymethyl)-13-methyl-11-[4-(3-pyridyl)phenyl]-2,3,6,7,8,9,10,11, (8S,9R,10S,11R,13R,14S,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) 7.15 12.11 -6.59 1 3 0 42 457.658 4 ↓
Lo Low (pH 4.5-6) 7.15 12.57 -35.89 2 3 1 44 458.666 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8S,9R,10S,11R,13S,14S,17R)-17-(methoxymethyl)-13-methyl-11-[4-(3-pyridyl)phenyl]-2,3,6,7,8,9,10,11, (8S,9R,10S,11R,13S,14S,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) 7.15 12.45 -6.54 1 3 0 42 457.658 4 ↓
Lo Low (pH 4.5-6) 7.15 12.91 -34.17 2 3 1 44 458.666 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(8S,9R,10S,11S,13R,14S,17S)-17-hydroxy-13-methyl-11-[4-(3-pyridyl)phenyl]-2,3,6,7,8,9,10,11,12,14 2-[(8S,9R,10S,11S,13R,14S,17S)-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) 6.62 13.38 -9.84 1 3 0 57 452.642 3 ↓
Lo Low (pH 4.5-6) 6.62 13.84 -41.64 2 3 1 58 453.65 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(8S,9R,10S,11S,13S,14S,17S)-17-hydroxy-13-methyl-11-[4-(3-pyridyl)phenyl]-2,3,6,7,8,9,10,11,12,14 2-[(8S,9R,10S,11S,13S,14S,17S)-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) 6.62 13.37 -9.89 1 3 0 57 452.642 3 ↓
Lo Low (pH 4.5-6) 6.62 13.83 -39.65 2 3 1 58 453.65 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(8S,9R,10S,11R,13R,14S,17S)-17-hydroxy-13-methyl-11-[4-(3-pyridyl)phenyl]-2,3,6,7,8,9,10,11,12,14 2-[(8S,9R,10S,11R,13R,14S,17S)-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) 6.62 12.88 -11.34 1 3 0 57 452.642 3 ↓
Lo Low (pH 4.5-6) 6.62 13.34 -41.06 2 3 1 58 453.65 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(8S,9R,10S,11R,13S,14S,17S)-17-hydroxy-13-methyl-11-[4-(3-pyridyl)phenyl]-2,3,6,7,8,9,10,11,12,14 2-[(8S,9R,10S,11R,13S,14S,17S)-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) 6.62 13.3 -10.93 1 3 0 57 452.642 3 ↓
Lo Low (pH 4.5-6) 6.62 13.76 -37.79 2 3 1 58 453.65 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8S,9R,10S,11S,13R,14S,17S)-17-allyl-13-methyl-11-[4-(3-pyridyl)phenyl]-2,3,6,7,8,9,10,11,12,14,15,1 (8S,9R,10S,11S,13R,14S,17S)-17-a…

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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) 8.08 14.28 -5.17 1 2 0 33 453.67 4 ↓
Lo Low (pH 4.5-6) 8.08 14.74 -36.04 2 2 1 34 454.678 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8S,9R,10S,11S,13S,14S,17S)-17-allyl-13-methyl-11-[4-(3-pyridyl)phenyl]-2,3,6,7,8,9,10,11,12,14,15,1 (8S,9R,10S,11S,13S,14S,17S)-17-a…

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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) 8.08 14.27 -5.25 1 2 0 33 453.67 4 ↓
Lo Low (pH 4.5-6) 8.08 14.73 -34.32 2 2 1 34 454.678 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8S,9R,10S,11R,13R,14S,17S)-17-allyl-13-methyl-11-[4-(3-pyridyl)phenyl]-2,3,6,7,8,9,10,11,12,14,15,1 (8S,9R,10S,11R,13R,14S,17S)-17-a…

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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) 8.08 13.77 -5.88 1 2 0 33 453.67 4 ↓
Lo Low (pH 4.5-6) 8.08 14.23 -34.64 2 2 1 34 454.678 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8S,9R,10S,11R,13S,14S,17S)-17-allyl-13-methyl-11-[4-(3-pyridyl)phenyl]-2,3,6,7,8,9,10,11,12,14,15,1 (8S,9R,10S,11R,13S,14S,17S)-17-a…

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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) 8.08 14.2 -5.76 1 2 0 33 453.67 4 ↓
Lo Low (pH 4.5-6) 8.08 14.66 -33.47 2 2 1 34 454.678 4 ↓

Parameters Provided:

ring.id = 197694
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 = 197694 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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