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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: 2-[(2S,8S,9R,10S,13R,14S,17S)-2-(4-dimethylaminophenyl)-17-hydroxy-13-methyl-3-oxo-1,2,6,7,8,9,10,11 2-[(2S,8S,9R,10S,13R,14S,17S)-2-…

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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) 4.43 11.77 -13.76 1 4 0 64 432.608 3 ↓
Lo Low (pH 4.5-6) 4.43 12.55 -25.55 2 4 0 66 433.616 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S,8S,9R,10S,13S,14S,17S)-2-(4-dimethylaminophenyl)-17-hydroxy-13-methyl-3-oxo-1,2,6,7,8,9,10,11 2-[(2S,8S,9R,10S,13S,14S,17S)-2-…

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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) 4.43 11.62 -13.31 1 4 0 64 432.608 3 ↓
Lo Low (pH 4.5-6) 4.43 12.4 -25.47 2 4 0 66 433.616 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S,8S,9S,10S,13R,14S,17S)-2-(4-dimethylaminophenyl)-17-hydroxy-13-methyl-3-oxo-1,2,6,7,8,9,10,11 2-[(2S,8S,9S,10S,13R,14S,17S)-2-…

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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) 4.43 11.51 -13.25 1 4 0 64 432.608 3 ↓
Lo Low (pH 4.5-6) 4.43 12.3 -24.62 2 4 0 66 433.616 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S,8S,9S,10S,13S,14S,17S)-2-(4-dimethylaminophenyl)-17-hydroxy-13-methyl-3-oxo-1,2,6,7,8,9,10,11 2-[(2S,8S,9S,10S,13S,14S,17S)-2-…

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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) 4.43 11.45 -13.06 1 4 0 64 432.608 3 ↓
Lo Low (pH 4.5-6) 4.43 12.24 -25.87 2 4 0 66 433.616 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 5.94 12.69 -10.55 1 3 0 41 431.62 2 ↓
Lo Low (pH 4.5-6) 5.94 13.4 -24.17 2 3 0 42 432.628 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 5.94 12.6 -10.39 1 3 0 41 431.62 2 ↓
Lo Low (pH 4.5-6) 5.94 13.37 -24.02 2 3 0 42 432.628 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 5.94 12.2 -9.37 1 3 0 41 431.62 2 ↓
Lo Low (pH 4.5-6) 5.94 12.98 -23.01 2 3 0 42 432.628 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 5.94 13.36 -9.59 1 3 0 41 431.62 2 ↓
Lo Low (pH 4.5-6) 5.94 14.14 -23.61 2 3 0 42 432.628 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,8S,9R,10S,13R,14S,17R)-2-(4-dimethylaminophenyl)-17-hydroxy-17-(methoxymethyl)-13-methyl-1,2,6,7 (2S,8S,9R,10S,13R,14S,17R)-2-(4-…

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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) 4.96 11.04 -9.52 1 4 0 50 437.624 4 ↓
Lo Low (pH 4.5-6) 4.96 11.79 -21.95 2 4 0 51 438.632 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,8S,9R,10S,13S,14S,17R)-2-(4-dimethylaminophenyl)-17-hydroxy-17-(methoxymethyl)-13-methyl-1,2,6,7 (2S,8S,9R,10S,13S,14S,17R)-2-(4-…

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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) 4.96 10.82 -9.26 1 4 0 50 437.624 4 ↓
Lo Low (pH 4.5-6) 4.96 11.57 -22.27 2 4 0 51 438.632 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,8S,9S,10S,13R,14S,17R)-2-(4-dimethylaminophenyl)-17-hydroxy-17-(methoxymethyl)-13-methyl-1,2,6,7 (2S,8S,9S,10S,13R,14S,17R)-2-(4-…

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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) 4.96 10.82 -9.74 1 4 0 50 437.624 4 ↓
Lo Low (pH 4.5-6) 4.96 11.58 -22.31 2 4 0 51 438.632 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,8S,9S,10S,13S,14S,17R)-2-(4-dimethylaminophenyl)-17-hydroxy-17-(methoxymethyl)-13-methyl-1,2,6,7 (2S,8S,9S,10S,13S,14S,17R)-2-(4-…

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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) 4.96 10.64 -9.34 1 4 0 50 437.624 4 ↓
Lo Low (pH 4.5-6) 4.96 11.4 -22.61 2 4 0 51 438.632 4 ↓

Parameters Provided:

ring.id = 197691
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 = 197691 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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