UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12093474
12093474
12192925
12192925
14975246
14975246
15073979
15073979

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Popular Name: N-[[3-(2-fluoro-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]methyl]-N-methyl-1-(1-methylpyrazol-4-yl)met N-[[3-(2-fluoro-4-methoxy-phenyl…

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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) 2.99 4.66 -58.07 1 6 1 49 406.485 7 ↓

Analogs

11816673
11816673

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Popular Name: (1R)-1-(1-methylpyrazol-4-yl)-N-[[3-(m-tolyl)-1-(p-tolyl)pyrazol-4-yl]methyl]ethanamine (1R)-1-(1-methylpyrazol-4-yl)-N-…

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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) 4.03 2.44 -47.81 2 5 1 52 386.523 6 ↓

Analogs

11816672
11816672

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Popular Name: (1S)-1-(1-methylpyrazol-4-yl)-N-[[3-(m-tolyl)-1-(p-tolyl)pyrazol-4-yl]methyl]ethanamine (1S)-1-(1-methylpyrazol-4-yl)-N-…

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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) 4.03 2.43 -48.2 2 5 1 52 386.523 6 ↓

Analogs

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Popular Name: N-[[3-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methyl-1-(1-methylpyrazol-4-yl)metha N-[[3-(2-chlorophenyl)-1-(4-fluo…

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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) 3.64 4.17 -51.74 1 5 1 40 410.904 6 ↓

Analogs

12076144
12076144
12458820
12458820

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Popular Name: 1-[3-(3-fluorophenyl)-1-(m-tolyl)pyrazol-4-yl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine 1-[3-(3-fluorophenyl)-1-(m-tolyl…

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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) 3.62 4.61 -51.1 1 5 1 40 390.486 6 ↓

Analogs

12439558
12439558

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Popular Name: N-[[3-(2-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-1-(1,3-dimethylpyrazol-4-yl)methanami N-[[3-(2-chlorophenyl)-1-(4-meth…

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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) 3.51 1.42 -55.74 2 6 1 61 422.94 7 ↓

Analogs

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Popular Name: N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-[3-(3-fluorophenyl)-1-(m-tolyl)pyrazol-4-yl]methanamine N-[(3,5-dimethyl-1H-pyrazol-4-yl…

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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) 3.75 0.66 -57.99 3 5 1 63 390.486 6 ↓

Analogs

11843684
11843684

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Popular Name: (1S)-1-(1,3-dimethylpyrazol-4-yl)-N-[[3-(3-fluoro-4-methoxy-phenyl)-1-(o-tolyl)pyrazol-4-yl]methyl]e (1S)-1-(1,3-dimethylpyrazol-4-yl…

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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) 4.14 12.09 -54.92 2 6 1 61 434.539 7 ↓
Hi High (pH 8-9.5) 4.14 10.98 -14.12 1 6 0 57 433.531 7 ↓

Analogs

11843683
11843683

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Popular Name: (1R)-1-(1,3-dimethylpyrazol-4-yl)-N-[[3-(3-fluoro-4-methoxy-phenyl)-1-(o-tolyl)pyrazol-4-yl]methyl]e (1R)-1-(1,3-dimethylpyrazol-4-yl…

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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) 4.14 3.15 -49.13 2 6 1 61 434.539 7 ↓

Analogs

12442039
12442039
12453256
12453256
12596535
12596535
11840085
11840085

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Popular Name: 1-[3-(3-fluoro-4-methoxy-phenyl)-1-(o-tolyl)pyrazol-4-yl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]m 1-[3-(3-fluoro-4-methoxy-phenyl)…

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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) 3.60 4.78 -44.65 1 6 1 49 420.512 7 ↓

Analogs

12459501
12459501

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Popular Name: 1-[1-(2,4-difluorophenyl)-3-(o-tolyl)pyrazol-4-yl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-met 1-[1-(2,4-difluorophenyl)-3-(o-t…

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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) 3.93 5.44 -52.8 1 5 1 40 422.503 6 ↓

Analogs

11932818
11932818

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Popular Name: N-[[3-(4-fluorophenyl)-1-(p-tolyl)pyrazol-4-yl]methyl]-N-[(1-methylpyrazol-4-yl)methyl]ethanamine N-[[3-(4-fluorophenyl)-1-(p-toly…

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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) 3.83 4.99 -47.51 1 5 1 40 404.513 7 ↓

Parameters Provided:

ring.id = 48412
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 = 48412 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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