UCSF
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Analogs

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Popular Name: (4S)-1-ethyl-6-[(1S)-3-methyl-1-(pyrrolidine-1-carbonyl)butyl]-4-(3-phenoxyphenyl)-4,7-dihydro-3H-py (4S)-1-ethyl-6-[(1S)-3-methyl-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) 5.27 14.6 -28.19 1 8 0 82 516.642 8 ↓

Analogs

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Popular Name: (4R)-1-ethyl-6-[(1S)-3-methyl-1-(pyrrolidine-1-carbonyl)butyl]-4-(3-phenoxyphenyl)-4,7-dihydro-3H-py (4R)-1-ethyl-6-[(1S)-3-methyl-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) 5.27 14.63 -26.41 1 8 0 82 516.642 8 ↓

Analogs

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Popular Name: (4S)-1-ethyl-6-[(1R)-3-methyl-1-(pyrrolidine-1-carbonyl)butyl]-4-(3-phenoxyphenyl)-4,7-dihydro-3H-py (4S)-1-ethyl-6-[(1R)-3-methyl-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) 5.27 14.39 -28.37 1 8 0 82 516.642 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-1-ethyl-6-[(1R)-3-methyl-1-(pyrrolidine-1-carbonyl)butyl]-4-(3-phenoxyphenyl)-4,7-dihydro-3H-py (4R)-1-ethyl-6-[(1R)-3-methyl-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) 5.27 14 -26.66 1 8 0 82 516.642 8 ↓

Analogs

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Popular Name: (4S)-1-methyl-6-[(1S)-3-methyl-1-(pyrrolidine-1-carbonyl)butyl]-4-(3-phenoxyphenyl)-4,7-dihydro-3H-p (4S)-1-methyl-6-[(1S)-3-methyl-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) 4.89 13.72 -28.36 1 8 0 82 502.615 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-1-methyl-6-[(1R)-3-methyl-1-(pyrrolidine-1-carbonyl)butyl]-4-(3-phenoxyphenyl)-4,7-dihydro-3H-p (4S)-1-methyl-6-[(1R)-3-methyl-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) 4.89 13.2 -27.95 1 8 0 82 502.615 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-1-methyl-6-[(1S)-3-methyl-1-(pyrrolidine-1-carbonyl)butyl]-4-(3-phenoxyphenyl)-4,7-dihydro-3H-p (4R)-1-methyl-6-[(1S)-3-methyl-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) 4.89 13.65 -26.58 1 8 0 82 502.615 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-1-methyl-6-[(1R)-3-methyl-1-(pyrrolidine-1-carbonyl)butyl]-4-(3-phenoxyphenyl)-4,7-dihydro-3H-p (4R)-1-methyl-6-[(1R)-3-methyl-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) 4.89 13.21 -26.5 1 8 0 82 502.615 7 ↓

Analogs

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Popular Name: (4S)-1-methyl-6-(2-oxo-2-pyrrolidin-1-yl-ethyl)-4-(3-phenoxyphenyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyr (4S)-1-methyl-6-(2-oxo-2-pyrroli…

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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) 3.25 9.91 -24.38 1 8 0 82 446.507 5 ↓

Analogs

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Popular Name: (4R)-1-methyl-6-(2-oxo-2-pyrrolidin-1-yl-ethyl)-4-(3-phenoxyphenyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyr (4R)-1-methyl-6-(2-oxo-2-pyrroli…

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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) 3.25 9.97 -23.31 1 8 0 82 446.507 5 ↓

Parameters Provided:

ring.id = 20375
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 = 20375 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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