UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (4S)-5-(3-imidazol-1-ylpropyl)-3-phenyl-4-(2-thienyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one (4S)-5-(3-imidazol-1-ylpropyl)-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) 2.86 11.91 -43.7 2 6 1 68 390.492 6 ↓
Mid Mid (pH 6-8) 2.86 11.4 -17.8 1 6 0 67 389.484 6 ↓

Analogs

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Popular Name: (4R)-5-(3-imidazol-1-ylpropyl)-3-phenyl-4-(2-thienyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one (4R)-5-(3-imidazol-1-ylpropyl)-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) 2.86 11.73 -42.59 2 6 1 68 390.492 6 ↓
Mid Mid (pH 6-8) 2.86 11.22 -18.75 1 6 0 67 389.484 6 ↓

Analogs

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Popular Name: (4S)-3-(4-chlorophenyl)-5-(3-imidazol-1-ylpropyl)-4-(2-thienyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-6-o (4S)-3-(4-chlorophenyl)-5-(3-imi…

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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) 3.54 12.02 -40.67 2 6 1 68 424.937 6 ↓
Mid Mid (pH 6-8) 3.54 11.51 -18.22 1 6 0 67 423.929 6 ↓

Analogs

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Popular Name: (4R)-3-(4-chlorophenyl)-5-(3-imidazol-1-ylpropyl)-4-(2-thienyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-6-o (4R)-3-(4-chlorophenyl)-5-(3-imi…

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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) 3.54 12.68 -43.28 2 6 1 68 424.937 6 ↓
Mid Mid (pH 6-8) 3.54 12.17 -18.44 1 6 0 67 423.929 6 ↓

Analogs

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Popular Name: (4S)-5-(3-imidazol-1-ylpropyl)-3-(4-methoxyphenyl)-4-(2-thienyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-6- (4S)-5-(3-imidazol-1-ylpropyl)-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) 2.92 11.21 -44.54 2 7 1 77 420.518 7 ↓
Mid Mid (pH 6-8) 2.92 10.7 -18.48 1 7 0 76 419.51 7 ↓

Analogs

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Popular Name: (4R)-5-(3-imidazol-1-ylpropyl)-3-(4-methoxyphenyl)-4-(2-thienyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-6- (4R)-5-(3-imidazol-1-ylpropyl)-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) 2.92 11.03 -43.49 2 7 1 77 420.518 7 ↓
Mid Mid (pH 6-8) 2.92 10.52 -19.5 1 7 0 76 419.51 7 ↓

Parameters Provided:

ring.id = 20770
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 = 20770 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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