UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: [2-oxo-2-[3-(4-phenylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethyl]urea [2-oxo-2-[3-(4-phenylphenyl)-1,4…

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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) 2.18 4.57 -16.08 4 7 0 104 375.432 4 ↓

Analogs

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Popular Name: 5-(3-methoxypropyl)-3-(4-phenylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine 5-(3-methoxypropyl)-3-(4-phenylp…

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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) 4.05 10.53 -46.42 2 4 1 42 348.47 6 ↓
Hi High (pH 8-9.5) 4.05 8.29 -7.76 1 4 0 41 347.462 6 ↓

Analogs

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Popular Name: (2S)-2-[3-(4-phenylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propanoic (2S)-2-[3-(4-phenylphenyl)-1,4,6…

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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) 1.92 11.24 -33.55 2 5 0 73 347.418 4 ↓
Hi High (pH 8-9.5) 1.92 9.21 -49.63 1 5 -1 72 346.41 4 ↓

Analogs

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Popular Name: (2R)-2-[3-(4-phenylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propanoic (2R)-2-[3-(4-phenylphenyl)-1,4,6…

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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) 1.92 11.25 -41.6 2 5 0 73 347.418 4 ↓
Hi High (pH 8-9.5) 1.92 9.18 -52.57 1 5 -1 72 346.41 4 ↓

Analogs

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Popular Name: 4-amino-1-[3-(4-phenylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]butan-1-one 4-amino-1-[3-(4-phenylphenyl)-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) 2.46 7.87 -57.53 4 5 1 77 361.469 5 ↓

Analogs

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Popular Name: 2-[3-(4-phenylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]acetamide 2-[3-(4-phenylphenyl)-1,4,6,7-te…

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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) 2.53 6.93 -48.32 4 5 1 76 333.415 4 ↓
Mid Mid (pH 6-8) 2.53 4.76 -12.89 3 5 0 75 332.407 4 ↓

Analogs

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Popular Name: 2-[3-(4-phenylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanol 2-[3-(4-phenylphenyl)-1,4,6,7-te…

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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) 3.17 7.45 -43.44 3 4 1 53 320.416 4 ↓
Hi High (pH 8-9.5) 3.17 5.2 -8.83 2 4 0 52 319.408 4 ↓

Analogs

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Popular Name: 4-[3-(4-phenylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]butan-1-ol 4-[3-(4-phenylphenyl)-1,4,6,7-te…

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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) 3.71 8.9 -47.77 3 4 1 53 348.47 6 ↓
Hi High (pH 8-9.5) 3.71 6.67 -8.42 2 4 0 52 347.462 6 ↓

Analogs

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Popular Name: 3-hydroxy-1-[3-(4-phenylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propan-1-one 3-hydroxy-1-[3-(4-phenylphenyl)-…

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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) 2.76 6.39 -14.42 2 5 0 69 347.418 4 ↓

Analogs

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Popular Name: N-ethyl-3-[3-(4-phenylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propanamide N-ethyl-3-[3-(4-phenylphenyl)-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) 3.55 9.83 -51.69 3 5 1 62 375.496 6 ↓
Mid Mid (pH 6-8) 3.55 7.59 -12.27 2 5 0 61 374.488 6 ↓

Analogs

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Popular Name: (2S)-2-[3-(4-phenylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]butanoic (2S)-2-[3-(4-phenylphenyl)-1,4,6…

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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) 2.45 11.95 -34.87 2 5 0 73 361.445 5 ↓
Hi High (pH 8-9.5) 2.45 9.92 -49.29 1 5 -1 72 360.437 5 ↓

Analogs

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Popular Name: (2R)-2-[3-(4-phenylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]butanoic (2R)-2-[3-(4-phenylphenyl)-1,4,6…

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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) 2.45 12.03 -41.57 2 5 0 73 361.445 5 ↓
Hi High (pH 8-9.5) 2.45 10.39 -53.13 1 5 -1 72 360.437 5 ↓

Parameters Provided:

ring.id = 523868
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 = 523868 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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