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Popular Name: (4R)-4-(4-benzyloxyphenyl)-5-(3-imidazol-1-ylpropyl)-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one (4R)-4-(4-benzyloxyphenyl)-5-(3-…

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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) 4.61 16.06 -42.11 2 7 1 77 490.587 9 ↓
Mid Mid (pH 6-8) 4.61 15.55 -21.15 1 7 0 76 489.579 9 ↓

Analogs

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Popular Name: (4S)-4-(4-benzyloxyphenyl)-5-(3-imidazol-1-ylpropyl)-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one (4S)-4-(4-benzyloxyphenyl)-5-(3-…

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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) 4.61 16.76 -45.81 2 7 1 77 490.587 9 ↓
Mid Mid (pH 6-8) 4.61 16.24 -20.97 1 7 0 76 489.579 9 ↓

Analogs

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Popular Name: (4R)-4-(4-benzyloxy-3-methoxy-phenyl)-5-(3-imidazol-1-ylpropyl)-3-phenyl-1,4-dihydropyrrolo[3,4-c]py (4R)-4-(4-benzyloxy-3-methoxy-ph…

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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) 4.20 15.96 -44.83 2 8 1 87 520.613 10 ↓
Mid Mid (pH 6-8) 4.20 15.44 -20.06 1 8 0 85 519.605 10 ↓

Analogs

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Popular Name: (4S)-4-(4-benzyloxy-3-methoxy-phenyl)-5-(3-imidazol-1-ylpropyl)-3-phenyl-1,4-dihydropyrrolo[3,4-c]py (4S)-4-(4-benzyloxy-3-methoxy-ph…

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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) 4.20 16.64 -47.21 2 8 1 87 520.613 10 ↓
Mid Mid (pH 6-8) 4.20 16.13 -21.91 1 8 0 85 519.605 10 ↓

Analogs

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Popular Name: (4R)-4-[4-[(2-chlorophenyl)methoxy]phenyl]-5-(3-imidazol-1-ylpropyl)-3-phenyl-1,4-dihydropyrrolo[3,4 (4R)-4-[4-[(2-chlorophenyl)metho…

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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) 5.24 17.06 -45.11 2 7 1 77 525.032 9 ↓
Mid Mid (pH 6-8) 5.24 16.54 -18.82 1 7 0 76 524.024 9 ↓

Analogs

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Popular Name: (4S)-4-[4-[(2-chlorophenyl)methoxy]phenyl]-5-(3-imidazol-1-ylpropyl)-3-phenyl-1,4-dihydropyrrolo[3,4 (4S)-4-[4-[(2-chlorophenyl)metho…

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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) 5.24 16.92 -43.06 2 7 1 77 525.032 9 ↓
Mid Mid (pH 6-8) 5.24 16.41 -20.23 1 7 0 76 524.024 9 ↓

Analogs

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Popular Name: (4R)-4-[4-[(4-chlorophenyl)methoxy]phenyl]-5-(3-imidazol-1-ylpropyl)-3-phenyl-1,4-dihydropyrrolo[3,4 (4R)-4-[4-[(4-chlorophenyl)metho…

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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) 5.29 17.01 -48.34 2 7 1 77 525.032 9 ↓
Mid Mid (pH 6-8) 5.29 16.49 -20.91 1 7 0 76 524.024 9 ↓

Analogs

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Popular Name: (4S)-4-[4-[(4-chlorophenyl)methoxy]phenyl]-5-(3-imidazol-1-ylpropyl)-3-phenyl-1,4-dihydropyrrolo[3,4 (4S)-4-[4-[(4-chlorophenyl)metho…

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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) 5.29 16.86 -46.06 2 7 1 77 525.032 9 ↓
Mid Mid (pH 6-8) 5.29 16.35 -22.48 1 7 0 76 524.024 9 ↓

Analogs

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Popular Name: (4R)-4-(4-benzyloxyphenyl)-5-(3-imidazol-1-ylpropyl)-3-(p-tolyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-6- (4R)-4-(4-benzyloxyphenyl)-5-(3-…

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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) 5.06 17.15 -46.84 2 7 1 77 504.614 9 ↓
Mid Mid (pH 6-8) 5.06 16.64 -19.88 1 7 0 76 503.606 9 ↓

Analogs

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Popular Name: (4S)-4-(4-benzyloxyphenyl)-5-(3-imidazol-1-ylpropyl)-3-(p-tolyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-6- (4S)-4-(4-benzyloxyphenyl)-5-(3-…

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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) 5.06 17.02 -44.27 2 7 1 77 504.614 9 ↓
Mid Mid (pH 6-8) 5.06 16.5 -21.82 1 7 0 76 503.606 9 ↓

Analogs

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Popular Name: (4R)-4-(4-benzyloxyphenyl)-3-(4-chlorophenyl)-5-(3-imidazol-1-ylpropyl)-1,4-dihydropyrrolo[3,4-c]pyr (4R)-4-(4-benzyloxyphenyl)-3-(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) 5.29 16.59 -42.45 2 7 1 77 525.032 9 ↓
Mid Mid (pH 6-8) 5.29 16.07 -20.91 1 7 0 76 524.024 9 ↓

Analogs

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Popular Name: (4S)-4-(4-benzyloxyphenyl)-3-(4-chlorophenyl)-5-(3-imidazol-1-ylpropyl)-1,4-dihydropyrrolo[3,4-c]pyr (4S)-4-(4-benzyloxyphenyl)-3-(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) 5.29 17.28 -46.67 2 7 1 77 525.032 9 ↓
Mid Mid (pH 6-8) 5.29 16.76 -21.05 1 7 0 76 524.024 9 ↓

Analogs

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Popular Name: (4R)-4-(4-benzyloxyphenyl)-5-(3-imidazol-1-ylpropyl)-3-(4-methoxyphenyl)-1,4-dihydropyrrolo[3,4-c]py (4R)-4-(4-benzyloxyphenyl)-5-(3-…

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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) 4.67 15.77 -47.69 2 8 1 87 520.613 10 ↓
Mid Mid (pH 6-8) 4.67 15.26 -20.7 1 8 0 85 519.605 10 ↓

Analogs

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Popular Name: (4S)-4-(4-benzyloxyphenyl)-5-(3-imidazol-1-ylpropyl)-3-(4-methoxyphenyl)-1,4-dihydropyrrolo[3,4-c]py (4S)-4-(4-benzyloxyphenyl)-5-(3-…

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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) 4.67 15.65 -45.04 2 8 1 87 520.613 10 ↓
Mid Mid (pH 6-8) 4.67 15.14 -22.58 1 8 0 85 519.605 10 ↓

Parameters Provided:

ring.id = 20840
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 = 20840 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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